SCHEMBL3496971

SCHEMBL3496971

COC(=O)c1ccc(C2CCC3(CC2)OCCO3)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
HTT P42858 2/20 0.45
ALDH1A1 P00352 7/20 0.44
HSD17B10 Q99714 4/20 0.44
HPGD P15428 4/20 0.44
KDM4E B2RXH2 3/20 0.44
TSHR P16473 2/20 0.44
GAA P10253 2/20 0.44
CASP1 P29466 2/20 0.44
CASP7 P55210 2/20 0.44
ATM Q13315 2/20 0.44
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
GLA P06280 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA12 O43570 1/20 0.41

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
SCHEMBL1780878 0.85 CA12 (0.45) RAB9ASMN1; SMN2NPC1HTTALDH1A1
SCHEMBL2941705 0.83 SMN1; SMN2 (0.59) RAB9ASMN1; SMN2NPC1HTTALDH1A1
SCHEMBL1783530 0.83 IKBKE (0.41) RAB9ASMN1; SMN2NPC1HTTALDH1A1
SCHEMBL744889 0.82 IKBKE (0.45) ALDH1A1HPGDTSHRGAAPOLB
SCHEMBL31019747 0.81 RAB9A (0.48) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL13267179 0.81 ALDH1A1 (0.55) RAB9ASMN1; SMN2NPC1HTTALDH1A1
SCHEMBL3495860 0.81 SMN1; SMN2 (0.49) RAB9ASMN1; SMN2NPC1HTTALDH1A1
SCHEMBL12733062 0.80 HPGD (0.53) RAB9ASMN1; SMN2NPC1HTTALDH1A1
SCHEMBL4482079 0.80 MAPK1 (0.44) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL31549587 0.80 RAB9A (0.44) RAB9ASMN1; SMN2NPC1HTTALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260014146-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS INC (US) 2026-01-15 US disclosed
EP-4562014-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME Cedilla Therapeutics, Inc. (US) 2025-06-04 EP disclosed
WO-2024026479-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
WO-2024026479-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
US-20180327357-A1 NOVEL ORGANIC COMPOUND, NEAR-INFRARED FLUORESCENT CONSTANT MEDIUM CONTAINING SAME, AND METHOD FOR NANO-GRANULATING CONSTANT MEDIUM CHAMEDITECH CO., LTD. (KR) 2018-11-15 US disclosed
WO-2016111602-A2 NOVEL ORGANIC COMPOUND, NEAR-INFRARED FLUORESCENT CONSTANT MEDIUM CONTAINING SAME, AND METHOD FOR NANO-GRANULATING CONSTANT MEDIUM 차의과학대학교 산학협력단 2016-07-14 WO disclosed
US-7659294-B2 2-(aryl)azacyclylmethyl carboxylates, sulfonates, phosphonates, phosphinates and heterocycles as S1P receptor agonists MERCK & CO., INC. (US) 2010-02-09 US disclosed
US-20090042954-A1 2-(Aryl)Azacyclylmethyl Carboxylates, Sulfonates, Phosphonates, Phosphinates and Heterocycles as S1p Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-02-12 US disclosed
EP-1804793-A2 2-(ARYL)AZACYCLYLMETHYL CARBOXYLATES, SULFONATES, PHOSPHONATES, PHOSPHINATES AND HETEROCYCLES AS S1P RECEPTOR AGONISTS Merck & Co., Inc. (US) 2007-07-11 EP disclosed
WO-2006047195-A2 2-(ARYL)AZACYCLYLMETHYL CARBOXYLATES, SULFONATES, PHOSPHONATES, PHOSPHINATES AND HETEROCYCLES AS S1P RECEPTOR AGONISTS MERCK & CO., INC. (US) 2006-05-04 WO 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 (3 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-20180327357-A1 NOVEL ORGANIC COMPOUND, NEAR-INFRARED FLUORESCENT CONSTANT MEDIUM CONTAINING SAME, AND METHOD FOR NANO-GRANULATING CONSTANT MEDIUM GRN, NPM1, NEFM RAB9A 3046/4885SMN1; SMN2 3725/4885NPC1 213/4885
US-20090042954-A1 2-(Aryl)Azacyclylmethyl Carboxylates, Sulfonates, Phosphonates, Phosphinates and Heterocycles as S1p Receptor Antagonists S1PR1, S1PR3, S1PR5 RAB9A 3330/4885SMN1; SMN2 3554/4885NPC1 1816/4885
US-20260014146-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CDK2, CDK20, CDK1 RAB9A 3826/4885SMN1; SMN2 1074/4885NPC1 2601/4885

“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.