SCHEMBL1690352

SCHEMBL1690352

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
POLB P06746 2/20 0.44
CA2 P00918 1/20 0.44
TYR P14679 1/20 0.44
TSHR P16473 2/20 0.39
NFE2L2 Q16236 1/20 0.38
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
HSPA5 P11021 1/20 0.36
CYP1A2 P05177 3/20 0.36
ACHE P22303 2/20 0.36
CYP2A6 P11509 2/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
NISCH Q9Y2I1 1/20 0.34
MAPT P10636 4/20 0.33
KDM4E B2RXH2 3/20 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
SCHEMBL15117064 0.84 SMN1; SMN2 (0.41) SMN1; SMN2NFE2L2CYP1A2ACHECYP2A6
SCHEMBL29939083 0.82 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2POLBCA2TYR
SCHEMBL18559641 0.82 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2POLBCA2TYR
SCHEMBL15040571 0.82 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2POLBCA2TYR
SCHEMBL441485 0.81 KIF11 (0.44) ALDH1A1SMN1; SMN2POLBCA2TYR
SCHEMBL168982 0.81 MPL (0.44) SMN1; SMN2
SCHEMBL22097419 0.80 ACHE (0.35) ALDH1A1SMN1; SMN2TSHRNFE2L2CYP1A2
SCHEMBL18768788 0.79 SMN1; SMN2 (0.34) SMN1; SMN2NFE2L2CYP1A2ACHECYP2A6
SCHEMBL798016 0.78 CA3 (0.42) ALDH1A1SMN1; SMN2CA2TYRNFE2L2
SCHEMBL20384742 0.77 SMN1; SMN2 (0.44) SMN1; SMN2CA2NFE2L2CYP1A2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753393-B2 Dihydroorotate dehydrogenase inhibitors JANSSEN BIOTECH, INC. 2023-09-12 US disclosed
US-11753393-B2 Dihydroorotate dehydrogenase inhibitors JANSSEN BIOTECH, INC. 2023-09-12 US disclosed
US-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-31 US disclosed
US-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-31 US disclosed
US-20230257382-A1 HETEROCYCLIC COMPOUND AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-08-17 US disclosed
US-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-10 US disclosed
US-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-10 US disclosed
US-11718612-B2 Inhibitors of receptor interacting protein kinase I for the treatment of disease BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-08-08 US disclosed
US-20230227429-A1 SULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-07-20 US disclosed
US-20230212183-A9 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-07-06 US disclosed
US-7297695-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-20 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070149534-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070135600-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-14 US disclosed
US-20070135600-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-14 US disclosed
US-6720433-B2 MOTILIN RECEPTOR ANTAGONIST; PHE-N-ME-VAL-(3-(3-METHYLINDOL-5-YL))ALA-NH2;PHE-N-ME-VAL-PHE( 3-ACETYL-4-HYDROXY)-NH2;PHE-N-ME-VAL-(3-(5-TERT-BUTYL-4-SULFAM OYL-2-FURYL))ALA-NH2 CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-04-13 US disclosed
US-20030176643-A1 Ethylamine derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-09-18 US disclosed
US-6586630-B1 Carbocyclic carboxy amines, used as motilin receptor antagonists for therapy of gastrointerstinal disorders such as irritable bowel syndrome; hormone inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-07-01 US disclosed
EP-1116726-A1 ETHYLAMINE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-07-18 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 (12 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-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B ALDH1A1 2504/4885SMN1; SMN2 2267/4885POLB 2508/4885
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 ALDH1A1 2353/4885SMN1; SMN2 4707/4885POLB 380/4885
US-11753393-B2 Dihydroorotate dehydrogenase inhibitors DHODH, DLD, DPYD ALDH1A1 116/4885SMN1; SMN2 3587/4885POLB 621/4885
US-20070135600-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex AP1M1, OR10J3, AP2M1 ALDH1A1 4017/4885SMN1; SMN2 2171/4885POLB 1470/4885
US-11718612-B2 Inhibitors of receptor interacting protein kinase I for the treatment of disease RIPK1, RIPK2, RIPK4 ALDH1A1 4554/4885SMN1; SMN2 998/4885POLB 3352/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 ALDH1A1 2353/4885SMN1; SMN2 4707/4885POLB 380/4885
US-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B ALDH1A1 2504/4885SMN1; SMN2 2267/4885POLB 2508/4885
US-20230227429-A1 SULPHONAMIDE COMPOUNDS MLKL, RIPK3, CASP1 ALDH1A1 4663/4885SMN1; SMN2 1484/4885POLB 3834/4885
US-20030176643-A1 Ethylamine derivatives MLNR, GIPR, MC4R ALDH1A1 3007/4885SMN1; SMN2 2169/4885POLB 4674/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ALDH1A1 4178/4885SMN1; SMN2 1888/4885POLB 639/4885
US-20070149534-A1 PYRROLOTRIAZINE KINASE INHIBITORS NTRK2, NTRK3, NTRK1 ALDH1A1 2051/4885SMN1; SMN2 3450/4885POLB 2405/4885
US-20230257382-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TRPC5, TRPC1, GOT1 ALDH1A1 2155/4885SMN1; SMN2 4015/4885POLB 3532/4885

“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.