SCHEMBL441485

SCHEMBL441485

Cc1ccc(C(C)(C)C)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.44
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CA2 P00918 1/20 0.39
POLB P06746 1/20 0.39
TYR P14679 1/20 0.39
TSHR P16473 2/20 0.39
NFE2L2 Q16236 2/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ACHE P22303 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2A6 P11509 2/20 0.36
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14640087 0.84 KIF11 (0.42) KIF11PTGS1PTGS2SMN1; SMN2NFE2L2
SCHEMBL11962356 0.82 KIF11 (0.41) KIF11PTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL16348230 0.82 KIF11 (0.45) KIF11PTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL1690352 0.81 ALDH1A1 (0.44) KIF11PTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL764426 0.81 CYP11B2 (0.53) KIF11CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL31410005 0.80 KIF11 (0.44) KIF11PTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL31490900 0.79 KIF11 (0.42) KIF11SMN1; SMN2TSHRNFE2L2CYP11B1
SCHEMBL20089653 0.79 KIF11 (0.43) KIF11PTGS1PTGS2SMN1; SMN2NFE2L2
SCHEMBL10193081 0.79 KIF11 (0.43) KIF11PTGS1PTGS2SMN1; SMN2NFE2L2
SCHEMBL441530 0.78 ALDH1A1 (0.42) PTGS1PTGS2ALDH1A1SMN1; SMN2NFE2L2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 250 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-11 US disclosed
US-11912711-B2 Heterocyclic compounds as triggering receptor expressed on myeloid cells 2 agonists and methods of use AMGEN INC. (US) 2024-02-27 US disclosed
US-11912711-B2 Heterocyclic compounds as triggering receptor expressed on myeloid cells 2 agonists and methods of use AMGEN INC. (US) 2024-02-27 US disclosed
US-20230399342-A1 TRICYCLIC TRIAZOLO COMPOUNDS AS DGK INHIBITORS INCYTE CORPORATION 2023-12-14 US disclosed
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor AMGEN INC. (US) 2023-11-07 US disclosed
US-20230322747-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPEUTICS, INC. (US) 2023-10-12 US disclosed
US-20230329095-A1 Novel Compound, Coating Composition Comprising Same, Organic Light-Emitting Device Using Same, and Manufacturing Method Therefor LG CHEM, LTD. (KR) 2023-10-12 US disclosed
US-20230329095-A1 Novel Compound, Coating Composition Comprising Same, Organic Light-Emitting Device Using Same, and Manufacturing Method Therefor LG CHEM, LTD. (KR) 2023-10-12 US disclosed
US-20230295169-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE AMGEN INC. 2023-09-21 US disclosed
US-20230295169-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE AMGEN INC. 2023-09-21 US disclosed
US-20100216768-A1 N-SUBSTITUTED AZAINDOLES AND METHODS OF USE GENENTECH, INC. 2010-08-26 US disclosed
US-20100120762-A1 Triazine derivatives as inhibitors of phosphodiesterases WYETH (US) 2010-05-13 US disclosed
US-20100120763-A1 IMIDAZO[5,1-C][1,2,4]BENZOTRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES WYETH (US) 2010-05-13 US disclosed
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-05 US disclosed
US-7453002-B2 thrombotic or an inflammatory disorders; improved factor XIa and/or plasma kallikrein inhibitory activity and selectivity, dosage requirment, costs or feasibility, side effect reduction; 4-(aminomethyl)-N-[2-phenyl-1-(4-pyridin-2-yl-1H-imidazol-2-yl)ethyl]-trans-cyclohexanecarboxamide BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
US-7453002-B2 thrombotic or an inflammatory disorders; improved factor XIa and/or plasma kallikrein inhibitory activity and selectivity, dosage requirment, costs or feasibility, side effect reduction; 4-(aminomethyl)-N-[2-phenyl-1-(4-pyridin-2-yl-1H-imidazol-2-yl)ethyl]-trans-cyclohexanecarboxamide BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
US-7429604-B2 Six-membered heterocycles useful as serine protease inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2008-09-30 US disclosed
US-7402674-B2 7-Phenylamino-4-quinolone-3-carboxylic acid derivatives, process for their preparation and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH, (DE) 2008-07-22 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230322747-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF HDAC6, HDAC1, HDAC11 KIF11 337/4885PTGS1 4039/4885PTGS2 4263/4885
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 KIF11 4469/4885PTGS1 2769/4885PTGS2 3794/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 KIF11 4469/4885PTGS1 2769/4885PTGS2 3794/4885
US-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP KIF11 3176/4885PTGS1 1662/4885PTGS2 2088/4885
US-20230329095-A1 Novel Compound, Coating Composition Comprising Same, Organic Light-Emitting Device Using Same, and Manufacturing Method Therefor NOTUM, OR51E2, ORMDL3 KIF11 954/4885PTGS1 1395/4885PTGS2 3385/4885
US-20100120763-A1 IMIDAZO[5,1-C][1,2,4]BENZOTRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES PDE2A, PDE5A, PDE3A KIF11 3875/4885PTGS1 320/4885PTGS2 325/4885
US-11912711-B2 Heterocyclic compounds as triggering receptor expressed on myeloid cells 2 agonists and methods of use MSR1, FPR2, CD14 KIF11 4868/4885PTGS1 864/4885PTGS2 337/4885
US-20100216768-A1 N-SUBSTITUTED AZAINDOLES AND METHODS OF USE MKI67, CCNI, CDKN1A KIF11 2888/4885PTGS1 380/4885PTGS2 508/4885
US-20230295169-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE MSR1, FPR2, CD14 KIF11 4868/4885PTGS1 864/4885PTGS2 337/4885
US-20230399342-A1 TRICYCLIC TRIAZOLO COMPOUNDS AS DGK INHIBITORS DGKA, DGKI, DGKG KIF11 1995/4885PTGS1 2576/4885PTGS2 2651/4885
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 KIF11 2545/4885PTGS1 1184/4885PTGS2 2800/4885
US-20100120762-A1 Triazine derivatives as inhibitors of phosphodiesterases PDE2A, PDE5A, PDE12 KIF11 3404/4885PTGS1 403/4885PTGS2 99/4885
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor APLNR, AGTR1, AGTR2 KIF11 4542/4885PTGS1 773/4885PTGS2 632/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.