SCHEMBL803011

SCHEMBL803011

Cc1ccc(C(C)(C)C)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CA2 P00918 1/20 0.39
POLB P06746 1/20 0.39
TYR P14679 1/20 0.39
TSHR P16473 3/20 0.39
TDP1 Q9NUW8 2/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
TP53 P04637 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
CYP1A2 P05177 3/20 0.36
CYP2A6 P11509 2/20 0.36
LMNA P02545 1/20 0.35
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35

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
SCHEMBL21448647 0.83 AKR1C2 (0.41) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL25908563 0.82 PDK2 (0.39) SMN1; SMN2TSHRTDP1CYP3A4MAPK1
SCHEMBL16579353 0.82 TDP1 (0.35) ALDH1A1SMN1; SMN2TSHRTDP1CYP3A4
SCHEMBL19708930 0.82 PDK1 (0.39) SMN1; SMN2TSHRTDP1CYP3A4MAPK1
SCHEMBL803633 0.81 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL5380073 0.81 TDP1 (0.60) SMN1; SMN2TSHRTDP1CYP3A4MAPK1
Hydrochloric Acid SCHEMBL31409935 0.80 TDP1 (0.34) ALDH1A1SMN1; SMN2POLBTSHRTDP1
SCHEMBL14666782 0.80 AKR1C3 (0.39) ALDH1A1CA2CYP2C9CYP2C19CYP1A2
SCHEMBL1043249 0.79 SMN1; SMN2 (0.45) SMN1; SMN2TSHRTDP1CYP3A4MAPK1
SCHEMBL2412995 0.79 PTGDR2 (0.39) ALDH1A1SMN1; SMN2POLBTSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20230322747-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPEUTICS, INC. (US) 2023-10-12 US disclosed
US-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORP (US) 2023-09-28 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-20230295170-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE AMGEN INC. 2023-09-21 US disclosed
US-20230212183-A9 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-07-06 US disclosed
US-20230203061-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. 2023-06-29 US disclosed
US-20230150935-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CALCIUM ION HOMEOSTASIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-05-18 US disclosed
US-20230150935-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CALCIUM ION HOMEOSTASIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-05-18 US disclosed
US-20230128198-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS AURORA A SELECTIVE INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD (CN) 2023-04-27 US disclosed
US-20100233123-A1 PHOSPHOTHIOPHENE AND PHOSPHOTHIAZOLE HCV POLYMERASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-09-16 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-20100120762-A1 Triazine derivatives as inhibitors of phosphodiesterases WYETH (US) 2010-05-13 US disclosed
US-20080194589-A1 Pyrazolo[1,5-Alpha]Pyrimidinyl Derivatives Useful as Corticotropin-Releasing Factor (Crf) Receptor Antagonists NEUROCRINE BIOSCIENCES, INC. (US) 2008-08-14 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-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-7226950-B2 Sodium channel modulators THERAVANCE, INC. (US) 2007-06-05 US disclosed
US-4603220-A Process for the preparation of aromatic monocarboxylic acids from toluene and substituted toluenes DYNAMIT NOBEL AG (DE) 1986-07-29 US disclosed
EP-0070393-B1 PROCESS FOR THE PREPARATION OF AROMATIC MONOCARBOXYLIC ACIDS HÜLS TROISDORF AKTIENGESELLSCHAFT (DE) 1985-05-29 EP disclosed
EP-0070393-A1 Process for the preparation of aromatic monocarboxylic acids HÜLS TROISDORF AKTIENGESELLSCHAFT (DE) 1983-01-26 EP 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-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ERBB2, ERBB3, ERBB4 ALDH1A1 1859/4885SMN1; SMN2 2432/4885CA2 2941/4885
US-20230322747-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF HDAC6, HDAC1, HDAC11 ALDH1A1 755/4885SMN1; SMN2 498/4885CA2 3823/4885
US-20230203061-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE ZYX, CCNY, XDH ALDH1A1 1782/4885SMN1; SMN2 4162/4885CA2 1728/4885
US-20230150935-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CALCIUM ION HOMEOSTASIS CHERP, ATP2A1, ATP2A3 ALDH1A1 3911/4885SMN1; SMN2 1283/4885CA2 12/4885
US-20100120763-A1 IMIDAZO[5,1-C][1,2,4]BENZOTRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES PDE2A, PDE5A, PDE3A ALDH1A1 133/4885SMN1; SMN2 1897/4885CA2 305/4885
US-20230128198-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS AURORA A SELECTIVE INHIBITORS AURKA, AURKC, AURKB ALDH1A1 2071/4885SMN1; SMN2 4569/4885CA2 1550/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ALDH1A1 4178/4885SMN1; SMN2 1888/4885CA2 1729/4885
US-11912711-B2 Heterocyclic compounds as triggering receptor expressed on myeloid cells 2 agonists and methods of use MSR1, FPR2, CD14 ALDH1A1 2654/4885SMN1; SMN2 472/4885CA2 3043/4885
US-20230295169-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE MSR1, FPR2, CD14 ALDH1A1 2654/4885SMN1; SMN2 472/4885CA2 3043/4885
US-20230295170-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE MSR1, FPR2, CD14 ALDH1A1 2654/4885SMN1; SMN2 472/4885CA2 3043/4885
US-20100120762-A1 Triazine derivatives as inhibitors of phosphodiesterases PDE2A, PDE5A, PDE12 ALDH1A1 565/4885SMN1; SMN2 3194/4885CA2 1378/4885
US-20100233123-A1 PHOSPHOTHIOPHENE AND PHOSPHOTHIAZOLE HCV POLYMERASE INHIBITORS PPP3CB, POLR2E, PSAT1 ALDH1A1 1224/4885SMN1; SMN2 4434/4885CA2 4422/4885
US-20080194589-A1 Pyrazolo[1,5-Alpha]Pyrimidinyl Derivatives Useful as Corticotropin-Releasing Factor (Crf) Receptor Antagonists CRHR1, CRH, CRHR2 ALDH1A1 3436/4885SMN1; SMN2 3406/4885CA2 2832/4885

“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.