SCHEMBL23438

SCHEMBL23438

COc1cccc(OC)c1OC.OBO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.52
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA12 O43570 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
TP53 P04637 2/20 0.50
CYP3A4 P08684 2/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
HPGD P15428 2/20 0.50
ALDH1A1 P00352 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CA4 P22748 1/20 0.50
NFE2L2 Q16236 5/20 0.48

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
SCHEMBL151213 0.89 CA1 (0.61) SMN1; SMN2CA1CA2CA12CA7
SCHEMBL27753904 0.89 CA1 (0.61) SMN1; SMN2CA1CA2CA12CA7
SCHEMBL25434306 0.89 CA1 (0.61) SMN1; SMN2CA1CA2CA12CA7
Bromide SCHEMBL28158222 0.87 SMN1; SMN2 (0.58) SMN1; SMN2CA1CA2CA12CA7
Ammonia Solution, Strong SCHEMBL4268652 0.87 SMN1; SMN2 (0.58) SMN1; SMN2CA1CA2CA12CA7
Hydrochloric Acid SCHEMBL31658961 0.87 SMN1; SMN2 (0.58) SMN1; SMN2CA1CA2CA12CA7
SCHEMBL27731704 0.87 SMN1; SMN2 (0.58) SMN1; SMN2CA1CA2CA12CA7
SCHEMBL26816106 0.87 SMN1; SMN2 (0.50) SMN1; SMN2CA1CA2CA12CA7
Bromide SCHEMBL1307432 0.84 SMN1; SMN2 (0.56) SMN1; SMN2CA1CA2CA12CA7
Methylamine SCHEMBL27494863 0.84 SMN1; SMN2 (0.56) SMN1; SMN2CA1CA2CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114085184-B Biphenyl derivative containing cyclopropane structure and preparation method and application thereof 中山大学 2023-08-29 CN disclosed
CN-114085184-A Biphenyl derivative containing cyclopropane structure and preparation method and application thereof 中山大学 2022-02-25 CN disclosed
EP-2817313-B1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-09-07 EP disclosed
EP-2609100-B1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-24 EP disclosed
US-9006440-B2 Furopyridine derivatives MERCK PATENT GMBH (DE) 2015-04-14 US disclosed
US-20150038527-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-02-05 US disclosed
EP-2817313-A1 FUROPYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2014-12-31 EP disclosed
US-20130225569-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US disclosed
WO-2013124025-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-08-29 WO disclosed
EP-2620429-A1 Hydroxylamine compounds and methods of their use Colby Pharmaceutical Company (US) 2013-07-31 EP disclosed
US-6900213-B2 Bisaryl derivatives having FSH modulatory activity PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2005-05-31 US disclosed
EP-1351941-B1 BISARYL DERIVATIVES HAVING FSH RECEPTOR MODULATORY ACTIVITY PHARMACOPEIA INC (US) 2004-09-29 EP disclosed
US-20040152703-A1 Bisaryl derivatives having FSH modulatory activity PHARMACOPEIA, LLC 2004-08-05 US disclosed
US-20040143023-A1 Materials and methods for synthesizing stilbenes HADFIELD JOHN ANTHONY (GB) 2004-07-22 US disclosed
WO-2004041285-A1 ANTIINFLAMMATION AGENTS AMGEN INC. (US) 2004-05-21 WO disclosed
US-20040097485-A1 Antiinflammation agents TULARIK INC. 2004-05-20 US disclosed
EP-1351941-A1 BISARYL DERIVATIVES HAVING FSH RECEPTOR MODULATORY ACTIVITY PHARMACOPEIA, INC. (US) 2003-10-15 EP disclosed
EP-1351911-A2 MATERIALS AND METHODS FOR SYNTHESIZING STILBENES Cancer Research Ventures Limited (GB) 2003-10-15 EP disclosed
WO-2002070493-A1 BISARYL DERIVATIVES HAVING FSH RECEPTOR MODULATORY ACTIVITY PHARMACOPEIA, INC. (US) 2002-09-12 WO disclosed
WO-2002049994-A2 MATERIALS AND METHODS FOR SYNTHESIZING STILBENES CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2002-06-27 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 (5 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-20040152703-A1 Bisaryl derivatives having FSH modulatory activity FSHR, GNRHR, LHCGR SMN1; SMN2 4552/4885CA1 4540/4885CA2 3933/4885
US-20150038527-A1 FUROPYRIDINE DERIVATIVES SYK, LYN, BTK SMN1; SMN2 4397/4885CA1 3747/4885CA2 2738/4885
US-20040143023-A1 Materials and methods for synthesizing stilbenes DPP4, COASY, ACSL4 SMN1; SMN2 3665/4885CA1 834/4885CA2 741/4885
US-20130225569-A1 FUROPYRIDINE DERIVATIVES SYK, FCGRT, SSB SMN1; SMN2 4592/4885CA1 3786/4885CA2 2471/4885
US-20040097485-A1 Antiinflammation agents TNF, NFATC1, NFKBIA SMN1; SMN2 4729/4885CA1 4473/4885CA2 3538/4885

“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.