SCHEMBL1091802

SCHEMBL1091802

CCC(=O)c1ccc2c(c1)CCO2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.69
TAS1R3 Q7RTX0 3/20 0.59
TAS1R1 Q7RTX1 3/20 0.59
PRKCI P41743 1/20 0.57
CTNNB1 P35222 7/20 0.56
WNT3A P56704 7/20 0.56
HPGD P15428 1/20 0.53
ACHE P22303 1/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46

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
SCHEMBL27629579 0.91 CTNNB1 (0.68) ATMTAS1R3TAS1R1PRKCICTNNB1
SCHEMBL11022828 0.88 HPGD (0.70) ATMTAS1R3TAS1R1PRKCICTNNB1
SCHEMBL10781619 0.87 ATM (0.69) ATMTAS1R3TAS1R1CTNNB1WNT3A
SCHEMBL14044259 0.85 PRKCI (0.58) ATMTAS1R3TAS1R1PRKCICTNNB1
SCHEMBL6181845 0.84 PRKCI (0.57) ATMTAS1R3TAS1R1PRKCICTNNB1
SCHEMBL1182701 0.84 PRKCI (0.57) ATMTAS1R3TAS1R1PRKCICTNNB1
SCHEMBL13516241 0.82 MEN1 (0.63) ATMTAS1R3TAS1R1PRKCICTNNB1
SCHEMBL852863 0.82 ALDH1A1 (0.56) ATMTAS1R3TAS1R1PRKCICTNNB1
SCHEMBL102518 0.81 PRKCI (0.62) TAS1R3TAS1R1PRKCICTNNB1WNT3A
SCHEMBL29793780 0.81 PRKCI (0.62) TAS1R3TAS1R1PRKCICTNNB1WNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61148172-A None JP disclosed
US-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. 2023-04-20 US disclosed
CN-115710179-A Method for synthesizing alpha-acyloxy ketone by photocatalysis 浙江工业大学台州研究院 2023-02-24 CN disclosed
US-9309211-B2 Arylalkene derivatives and use thereof as selective estrogen receptor modulators CENTAURUS BIOPHARMA CO., LTD. (CN) 2016-04-12 US disclosed
US-9309211-B2 Arylalkene derivatives and use thereof as selective estrogen receptor modulators CENTAURUS BIOPHARMA CO., LTD. (CN) 2016-04-12 US disclosed
US-9309211-B2 Arylalkene derivatives and use thereof as selective estrogen receptor modulators CENTAURUS BIOPHARMA CO., LTD. (CN) 2016-04-12 US disclosed
US-8153634-B2 Carbinol derivatives having cyclic linker KOWA COMPANY, LTD. (JP) 2012-04-10 US disclosed
US-7994203-B2 Organic compounds NOVARTIS AG (CH) 2011-08-09 US disclosed
US-7994203-B2 Organic compounds NOVARTIS AG (CH) 2011-08-09 US disclosed
US-7994203-B2 Organic compounds NOVARTIS AG (CH) 2011-08-09 US disclosed
WO-2010015628-A1 PYRAZOLO [5,1-B] OXAZOLE DERIVATIVES AS CRF1 ANTAGONISTS NOVARTIS AG (CH) 2010-02-11 WO disclosed
CN-100400041-C Diaminothiazoles useful as selective inhibitors of CDK4 HOFFMANN LA ROCHE (CH) 2008-07-09 CN disclosed
US-20070010568-A1 Substituted azabicyclo hexane derivatives as muscarinic receptor antagonists RANBAXY LABORATORY LIMITED (IN) 2007-01-11 US disclosed
US-20070010568-A1 Substituted azabicyclo hexane derivatives as muscarinic receptor antagonists RANBAXY LABORATORY LIMITED (IN) 2007-01-11 US disclosed
CN-1652780-A Diaminothiazoles used as CDK4 inhibitors HOFFMANN LA ROCHE (CH) 2005-08-10 CN disclosed
US-4703052-A Hypoglycemic thiazolidinediones PFIZER INC. (US) 1987-10-27 US disclosed
EP-0207605-A1 Hypoglycemic thiazolidinediones PFIZER INC. (US) 1987-01-07 EP disclosed
WO-1986007056-A1 HYPOGLYCEMIC THIAZOLIDINEDIONES PFIZER INC. (US) 1986-12-04 WO disclosed
JP-S61148172-A 1-(2,3-DIHYDRO-5-BENZOFURANYL)-1-PROPANONE DERIVATIVE, AND CENTRAL MUSCLE RELAXANT CONTAINING SAID DERIVATIVE AS ACTIVE COMPONENT TOKYO TANABE CO LTD 1986-07-05 JP disclosed
EP-0163537-A1 1-Propanone derivatives and pharmaceutical compositions containing same TOKYO TANABE COMPANY LIMITED (JP) 1985-12-04 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 (2 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-20070010568-A1 Substituted azabicyclo hexane derivatives as muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 ATM 3986/4885TAS1R3 2273/4885TAS1R1 2080/4885
US-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CDK2, CDK20, CDK2AP2 ATM 318/4885TAS1R3 4882/4885TAS1R1 4885/4885

“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.