SCHEMBL7186388

SCHEMBL7186388

COCCOCOc1ccc(C(C)=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.62
GAA P10253 1/20 0.61
CTNNB1 P35222 1/20 0.53
MAPT P10636 5/20 0.53
LMNA P02545 2/20 0.53
POLB P06746 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ALDH1A1 P00352 2/20 0.53
MAOB P27338 9/20 0.51
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
MAOA P21397 2/20 0.47
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL4445351 0.90 L3MBTL1 (0.68) L3MBTL1GAAMAPTLMNAPOLB
SCHEMBL13894709 0.90 L3MBTL1 (0.68) L3MBTL1GAAMAPTLMNAPOLB
SCHEMBL933535 0.87 L3MBTL1 (0.75) L3MBTL1GAAMAPTLMNAPOLB
SCHEMBL1503531 0.86 PKM (0.56) L3MBTL1CTNNB1POLBALDH1A1RAB9A
SCHEMBL657699 0.85 L3MBTL1 (0.66) L3MBTL1GAAMAPTLMNAPOLB
SCHEMBL8421294 0.85 PARP10 (0.59) CTNNB1MAPTALDH1A1MAOB
SCHEMBL1503528 0.85 MAPT (0.69) L3MBTL1GAACTNNB1MAPTLMNA
SCHEMBL12691656 0.85 CTNNB1 (0.52) L3MBTL1GAACTNNB1MAPTRAB9A
SCHEMBL21169051 0.85 L3MBTL1 (0.61) L3MBTL1GAAMAPTLMNAPOLB
SCHEMBL19337421 0.83 CTNNB1 (0.57) L3MBTL1GAACTNNB1MAPTRAB9A

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
EP-2297133-B1 1, 2 DISUBSTITUTED HETEROCYCLIC COMPOUNDS FORUM PHARMACEUTICALS INC (US) 2017-09-13 EP disclosed
US-8071595-B2 1,2-disubstituted heterocyclic compounds ENVIVO PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-20100137317-A1 1,2-Disubstituted Heterocyclic Compounds ENVIVO PHARMACEUTICALS, INC. (US) 2010-06-03 US disclosed
US-6603046-B1 The invention is drawn to novel bis-aromatic a, beta -unsaturated ketones. The compounds are useful in the treatment and prophylaxis of diseases caused by parasites or bacteria. LICA PHARMACEUTICALS A/S (DK) 2003-08-05 US disclosed
EP-0634927-B1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA LICA PHARMACEUTICALS AS (DK) 2001-07-04 EP disclosed
US-5985935-A PARASITICIDES OR BACTERICIDES STATENS SERUMINSTITUT (DK) 1999-11-16 US disclosed
US-5420275-A Chemiluminescent assay, tumors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-30 US disclosed
EP-0634927-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-01-25 EP disclosed
WO-1993017671-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1993-09-16 WO disclosed
EP-0491477-A1 Pyridopyridazine compounds and their use Takeda Chemical Industries, Ltd. (JP) 1992-06-24 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 (1 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-20100137317-A1 1,2-Disubstituted Heterocyclic Compounds PDE12, PDE7A, PDE10A L3MBTL1 2810/4885GAA 116/4885CTNNB1 4003/4885

“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.