SCHEMBL938629

SCHEMBL938629

OB(O)c1ccc(C2CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.46
ENPP2 Q13822 4/20 0.46
CA2 P00918 3/20 0.44
CA1 P00915 2/20 0.44
LPL P06858 2/20 0.44
LIPG Q9Y5X9 2/20 0.44
TSHR P16473 1/20 0.44
ESR1 P03372 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
MGLL Q99685 2/20 0.41
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL3289787 0.91 HDAC1 (0.46) ESR2ENPP2CA2CA1LPL
SCHEMBL3787388 0.91 ESR2 (0.47) ESR2ENPP2CA2CA1LPL
SCHEMBL18394111 0.89 ESR2 (0.39) ESR2ENPP2CA2CA1LPL
SCHEMBL13986748 0.89 ESR2 (0.62) ESR2ENPP2CA2CA1LPL
SCHEMBL17070208 0.89 HIF1A (0.46) ESR2ENPP2CA2CA1TSHR
SCHEMBL257745 0.89 HIF1A (0.46) ESR2ENPP2CA2CA1TSHR
SCHEMBL16936665 0.85 ENPP2 (0.38) ESR2ENPP2CA2CA1LPL
SCHEMBL9225249 0.84 ESR2 (0.44) ESR2CA2CA1LPLLIPG
SCHEMBL2556128 0.84 ESR2 (0.44) ESR2CA2CA1LPLLIPG
SCHEMBL25353933 0.83 ENPP2 (0.37) ESR2ENPP2CA2CA1LPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115232090-A 6-substituted dihydrobenzo [ e ] [1,2,3] oxathiazine 2,2-dioxide compound and preparation and application thereof 杭州市第七人民医院 2022-10-25 CN claimed
CN-122071459-A Heterocyclic derivative containing oxazole or salt acceptable as pesticide, composition and application thereof 沈阳禧沅峰生物科技有限公司 2026-05-22 CN disclosed
WO-2026101698-A1 HEPCIDIN MIMETIC COMPOUNDS AND USES THEREOF PROTAGONIST THERAPEUTICS, INC. (US) 2026-05-15 WO disclosed
CN-115835909-B Cannabinoid receptor type 2 (CB 2) modulators and uses thereof 泰昂治疗公司 2026-05-15 CN disclosed
US-12612412-B2 Antiviral heterocyclic compounds ENANTA PHARMACEUTICALS, INC. (US) 2026-04-28 US disclosed
US-20260103464-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYL-PYRIDINE DERIVATIVES BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2026-04-16 US disclosed
EP-4680607-A1 BICYCLIC UREAS AS KINASE INHIBITORS Incyte Corporation (US) 2026-01-21 EP disclosed
US-20260008782-A1 HYDANTOIN MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION CONVELO THERAPEUTICS, INC. 2026-01-08 US disclosed
WO-2025242566-A1 AUTOPHAGY INDUCING COMPOUNDS AND USES THEREOF, IN PARTICULAR FOR THE PREVENTION OR TREATMENT OF DISEASES OF THE CNS Samsara Therapeutics Inc. (US) 2025-11-27 WO disclosed
US-20250361236-A9 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS GILEAD SCIENCES INC (US) 2025-11-27 US disclosed
US-20080027122-A1 Indole derivatives TANABE SEIYAKU CO., LTD. 2008-01-31 US disclosed
WO-2008009078-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed
WO-2007128749-A1 GLUCOPYRANOSYL-SUBSTITUTED BENZONITRILE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-15 WO disclosed
WO-2007128749-A1 GLUCOPYRANOSYL-SUBSTITUTED BENZONITRILE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-15 WO disclosed
US-20070259821-A1 Glucopyranosyl-substituted benzonitrile derivatives, pharmaceutical compositions containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-08 US disclosed
US-20070259821-A1 Glucopyranosyl-substituted benzonitrile derivatives, pharmaceutical compositions containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-08 US disclosed
US-20070259821-A1 Glucopyranosyl-substituted benzonitrile derivatives, pharmaceutical compositions containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-08 US disclosed
WO-2007093610-A1 GLUCOPYRANOSYL-SUBSTITUTED BENZONITRILE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-23 WO disclosed
WO-2007093610-A1 GLUCOPYRANOSYL-SUBSTITUTED BENZONITRILE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-23 WO disclosed
WO-2007034282-A2 DIARYL-IMIDAZOLE COMPOUNDS CONDENSED WITH A HETEROCYCLE AS C3A RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2007-03-29 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 (6 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-20080027122-A1 Indole derivatives SLC5A1, SLC5A2, SLC5A11 ESR2 2475/4885ENPP2 4185/4885CA2 256/4885
US-20260008782-A1 HYDANTOIN MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION SGMS1, MAG, SGMS2 ESR2 4131/4885ENPP2 1351/4885CA2 2426/4885
US-20070259821-A1 Glucopyranosyl-substituted benzonitrile derivatives, pharmaceutical compositions containing such compounds, their use and process for their manufacture UGGT1, UGT1A4, SLC5A1 ESR2 3133/4885ENPP2 1397/4885CA2 3266/4885
US-12612412-B2 Antiviral heterocyclic compounds ZC3HAV1, NHERF1, HM13 ESR2 3000/4885ENPP2 3824/4885CA2 1209/4885
US-20250361236-A9 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK ESR2 1602/4885ENPP2 439/4885CA2 4610/4885
US-20260103464-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYL-PYRIDINE DERIVATIVES CBR3, CYCS, CBR1 ESR2 2334/4885ENPP2 1585/4885CA2 1750/4885

“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.