SCHEMBL1613798

SCHEMBL1613798

COc1ccc(CC=O)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.62
ALDH1A1 P00352 3/20 0.55
CA2 P00918 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CYP1A1 P04798 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP1B1 Q16678 1/20 0.48
MAPT P10636 1/20 0.48
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 2/20 0.44

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
SCHEMBL885029 0.85 HSD17B10 (0.57) APLNRALDH1A1CA2CA12CA1
SCHEMBL30229484 0.85 HSD17B10 (0.57) APLNRALDH1A1CA2CA12CA1
SCHEMBL2317884 0.84 APLNR (0.45) APLNRALDH1A1MAPTMEN1KMT2A
SCHEMBL6177244 0.84 TTR (0.47) APLNRALDH1A1CYP1A2HTR2AHSD17B10
SCHEMBL17537954 0.83 ALDH1A1 (0.50) APLNRALDH1A1CA2MAPTMEN1
SCHEMBL31299914 0.83 ALDH1A1 (0.44) APLNRALDH1A1MAPTHSD17B10CYP3A4
SCHEMBL584252 0.82 APLNR (0.59) APLNRALDH1A1CA2CA12CA1
SCHEMBL10391370 0.82 APLNR (0.46) APLNRALDH1A1CA2CA12CA1
SCHEMBL2559819 0.81 HTT (0.45) APLNRALDH1A1HSD17B10MEN1KMT2A
SCHEMBL15974038 0.81 ACHE (0.50) APLNRALDH1A1CYP1A2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5376671-A Cardiovascular disorders, hypotensive agents, anticholesterol agent BAYER AKTIENGESELLSCHAFT (DE) 1994-12-27 US claimed
CN-117964633-B Preparation method of glabridin 深圳创元生物医药科技有限公司 2024-06-21 CN disclosed
CN-117964633-A Preparation method of glabridin 深圳创元生物医药科技有限公司 2024-05-03 CN disclosed
US-11660311-B2 Cyclic dinucleotides as anticancer agents BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-30 US disclosed
US-11660311-B2 Cyclic dinucleotides as anticancer agents BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-30 US disclosed
US-20220117995-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2022-04-21 US disclosed
EP-1812406-B1 NOVEL BENZIMIDAZOLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2018-09-12 EP disclosed
EP-3355699-A1 BICYCLIC COMPOUND AND USE THEREOF FOR INHIBITING SUV39H2 OncoTherapy Science, Inc. (JP) 2018-08-08 EP disclosed
WO-2017168024-A1 COMPOUNDS WITH ANTIOXIDANT ACTIVITY AND USES THEREOF CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2017-10-05 WO disclosed
EP-2958897-A2 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 Senomyx, Inc. (US) 2015-12-30 EP disclosed
CN-1286810-C 2-acyl indol derivatives and their use as anti-tumour agents BAKST HEALTH AG (CH) 2006-11-29 CN disclosed
US-6867297-B1 Process for synthesizing 4-substituted azetidinone derivatives DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-03-15 US disclosed
CN-1431997-A 2-acylindole derivatives and their use as antitumor agents BAKST HEALTH AG (CH) 2003-07-23 CN disclosed
EP-0638552-B1 PROCESS FOR SYNTHESIZING 4-SUBSTITUTED AZETIDINONE DERIVATIVE DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-06-04 EP disclosed
EP-1017693-A1 CARBOXAMIDOTHIAZOLE DERIVATIVES, PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 2000-07-12 EP disclosed
EP-0934940-A1 CYTOKINE PRODUCTION INHIBITORS, TRIAZEPINE COMPOUNDS, AND INTERMEDIATES THEREOF Japan Tobacco Inc. (JP) 1999-08-11 EP disclosed
WO-1999015525-A1 CARBOXAMIDOTHIAZOLE DERIVATIVES, PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 1999-04-01 WO disclosed
US-5807850-A Therapeutic agent for osteoporosis and triazepine compound JAPAN TOBACCO, INC. (JP) 1998-09-15 US disclosed
EP-0792880-A1 OSTEOPOROSIS REMEDY AND TRIAZEPINE COMPOUND Japan Tobacco Inc. (JP) 1997-09-03 EP disclosed
EP-0638552-A1 PROCESS FOR SYNTHESIZING 4-SUBSTITUTED AZETIDINONE DERIVATIVE SUNTORY LIMITED (JP) 1995-02-15 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-11660311-B2 Cyclic dinucleotides as anticancer agents DPYD, CD38, DUT APLNR 2870/4885ALDH1A1 1129/4885CA2 2981/4885
US-20220117995-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS DPYD, CD38, DUT APLNR 2870/4885ALDH1A1 1129/4885CA2 2981/4885

“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.