SCHEMBL2775744

SCHEMBL2775744

COc1cc2c(cc1C)CCC2=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
USP2 O75604 1/20 0.44
S100A4 P26447 1/20 0.44
TUBB4A P04350 2/20 0.43
TUBB P07437 2/20 0.43
TUBA3C P0DPH7 2/20 0.43
TUBA1B P68363 2/20 0.43
TUBA4A P68366 2/20 0.43
TUBB4B P68371 2/20 0.43
TUBB3 Q13509 2/20 0.43
TUBB2A Q13885 2/20 0.43
TUBB8 Q3ZCM7 2/20 0.43
TUBA3E Q6PEY2 2/20 0.43
TUBA1A Q71U36 2/20 0.43
TUBA1C Q9BQE3 2/20 0.43
TUBB6 Q9BUF5 2/20 0.43
TUBB2B Q9BVA1 2/20 0.43

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
SCHEMBL3949987 0.93 TUBB4A (0.47) KDM4EALDH1A1KMT2AMEN1USP2
SCHEMBL2776025 0.89 HSD17B1 (0.50) KDM4EALDH1A1KMT2AMEN1TUBB4A
SCHEMBL29420327 0.86 KMT2A (0.56) KDM4EALDH1A1KMT2AMEN1USP2
SCHEMBL354177 0.86 KMT2A (0.56) KDM4EALDH1A1KMT2AMEN1USP2
SCHEMBL29420326 0.86 KMT2A (0.56) KDM4EALDH1A1KMT2AMEN1USP2
SCHEMBL24362549 0.82 HSD17B1 (0.47) KDM4EALDH1A1KMT2AMEN1TUBB4A
SCHEMBL1807630 0.82 HSD17B1 (0.50) KDM4EALDH1A1KMT2AMEN1TUBB4A
SCHEMBL1561740 0.81 HTR2A (0.51) KDM4EALDH1A1KMT2AMEN1USP2
SCHEMBL606742 0.80 PTGS2 (0.47) KDM4EALDH1A1KMT2AMEN1USP2
SCHEMBL2494625 0.80 MAPK10 (0.47) KDM4EALDH1A1KMT2AMEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583738-B1 INDENONCARBOXYLIC ACIDS DERIVATIVES AND THEIR USE FOR THE TREATMENT OF AND PREVENTING DIABETES AND DYSLIPIDAEMIA MERCK PATENT GMBH (DE) 2017-05-10 EP disclosed
EP-1966136-B1 NOVEL PROCESS FOR PRODUCTION OF HIGHLY PURE POLYMORPH (I) DONEPEZIL HYDROCHLORIDE RICHTER GEDEON NYRT (HU) 2014-02-26 EP disclosed
US-7767667-B2 Pesticidal heterocycles FMC CORPORATION (US) 2010-08-03 US disclosed
US-20090012070-A1 PESTICIDAL HETEROCYCLES BAYER CROPSCIENCE AG (DE) 2009-01-08 US disclosed
US-7417057-B2 Pesticidal heterocycles BAYER CROPSCIENCE AG (DE) 2008-08-26 US disclosed
US-20060252762-A1 Methods for treatment of multiple sclerosis WHITEHEAD CLARK M 2006-11-09 US disclosed
US-20060100210-A1 Methods for treatment of scleroderma WHITEHEAD CLARK M 2006-05-11 US disclosed
EP-1499609-A4 PESTICIDAL HETEROCYCLES FMC CORP (US) 2005-09-14 EP disclosed
US-20050143418-A1 Pesticidal heterocycles FMC CORPORATION 2005-06-30 US disclosed
US-6906064-B2 Method for treating a patient with neoplasia using Iressa OSI PHARMACEUTICALS, INC. 2005-06-14 US disclosed
US-20030009033-A1 Substituted condensation products of N-benzyl-3-indenylacent amides with heterocyclic aldehydes for neoplasia OSI PHARMACEUTICALS, INC. 2003-01-09 US disclosed
US-6479493-B1 INHIBITING PHOSPHODIESTERASE 2 IN THE DISEASED TISSUE, WITHOUT SUBSTANTIALLY INHIBITING CYCLOOXYGENASES I AND II, THEREBY CAUSING MACROPHAGE APOPTOSIS CELL PATHWAYS, INC. 2002-11-12 US disclosed
US-6465494-B1 PHOSPHODIESTERASE 2 AND 5 INHIBITORS; DOES NOT SUBSTANTIALLY INHIBIT COX I OR II; INDUCING APOPTOSIS IN PULMONARY MACROPHAGES THAT GENERATE LUNG DAMAGING METABOLITES AND LEUKOTRIENE B4 CELL PATHWAYS, INC. 2002-10-15 US disclosed
US-6426349-B1 ADMINISTERING (Z)-5-FLUORO-2-METHYL-(4-PYRIDYLIDENE)-3-(N-BENZYL) INDENYLACETAMIDE HYDROCHLORIDE; REGULATING APOPTOSIS CELL PATHWAY AND THE UNIVERSITY OF ARIZONA 2002-07-30 US disclosed
US-6166053-A Substituted condensation products of N-benzyl-3-idenylacetamides with heterocyclic aldehydes for neoplasia CELL PATHWAYS, INC. (US) 2000-12-26 US disclosed
EP-1044187-A1 N-BENZYL-3-INDENYLACETAMIDES DERIVATIVES FOR TREATING NEOPLASIA OSI Pharmaceuticals, Inc. (US) 2000-10-18 EP disclosed
US-6066634-A PHOSPHODIESTERASE INHIBITOR CELL PATHWAYS, INC. (US) 2000-05-23 US disclosed
US-6028116-A Substituted condensation products of 1H-indenyl-hydroxyalkanes with aldehydes for neoplasia CELL PATHWAYS, INC. (US) 2000-02-22 US disclosed
US-5948779-A APOPTOSIS; ANTICANCER AGENT CELL PATHWAYS, INC. (US) 1999-09-07 US disclosed
WO-1999031065-A1 N-BENZYL-3-INDENYLACETAMIDES DERIVATIVES FOR TREATING NEOPLASIA CELL PATHWAYS, INC. (US) 1999-06-24 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-20090012070-A1 PESTICIDAL HETEROCYCLES DDT, CBR3, ACHE KDM4E 3146/4885ALDH1A1 4036/4885KMT2A 3878/4885
US-20030009033-A1 Substituted condensation products of N-benzyl-3-indenylacent amides with heterocyclic aldehydes for neoplasia ACIN1, AOX1, CCAR2 KDM4E 4309/4885ALDH1A1 146/4885KMT2A 1774/4885
US-20060100210-A1 Methods for treatment of scleroderma SSB, TST, ETF1 KDM4E 1928/4885ALDH1A1 678/4885KMT2A 1907/4885
US-20060252762-A1 Methods for treatment of multiple sclerosis MYT1, PMP22, OTC KDM4E 1493/4885ALDH1A1 973/4885KMT2A 1165/4885
US-20050143418-A1 Pesticidal heterocycles DDT, TRHR, ACHE KDM4E 3256/4885ALDH1A1 3938/4885KMT2A 3837/4885

“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.