SCHEMBL2883176

SCHEMBL2883176

Cc1coc2ccc(C=O)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 5/20 0.46
CYP2A6 P11509 2/20 0.46
PTPN1 P18031 7/20 0.40
HPGD P15428 3/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
PTK2B Q14289 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A3 P47895 2/20 0.38
KCNA3 P22001 1/20 0.37
HSD17B10 Q99714 2/20 0.36
PTPN2 P17706 1/20 0.36
TSHR P16473 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL18235043 0.88 PTPN1 (0.47) ALDH1A1KDM4ECYP2A6PTPN1PTPN2
SCHEMBL16684586 0.85 ALDH1A1 (0.46) ALDH1A1KDM4ECYP2A6PTPN1HPGD
SCHEMBL11440509 0.80 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDPOLBMEN1
SCHEMBL11440507 0.80 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDPOLBMEN1
SCHEMBL16684571 0.78 PTPN1 (0.46) ALDH1A1KDM4ECYP2A6PTPN1MEN1
SCHEMBL1852687 0.78 PTPN1 (0.46) ALDH1A1KDM4ECYP2A6PTPN1POLB
SCHEMBL16684706 0.77 ALDH1A1 (0.49) ALDH1A1KDM4EPOLBMEN1MAPT
SCHEMBL16684707 0.77 ALDH1A1 (0.49) ALDH1A1KDM4EPOLBMEN1MAPT
SCHEMBL16406597 0.77 NPC1 (0.49) ALDH1A1KDM4ECYP2A6HPGDPOLB
SCHEMBL4454971 0.74 ALDH1A1 (0.47) ALDH1A1KDM4ENPC1MAPTKMT2A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257160-B1 DIAMIDE INHIBITORS OF CYTOCHROME P450 SEQUOIA PHARMACEUTICALS INC (US) 2017-07-05 EP disclosed
WO-2015066371-A1 SPIRO-OXADIAZOLINE COMPOUNDS AS AGONISTS OF α-7-NICOTINIC ACETYLCHOLINE RECEPTORS FORUM PHARMACEUTICALS, INC. (US) 2015-05-07 WO disclosed
US-7846925-B2 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2010-12-07 US disclosed
US-7846925-B2 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2010-12-07 US disclosed
US-7846925-B2 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2010-12-07 US disclosed
US-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES LABORATOIRES SERONO S.A. (CH) 2009-12-10 US disclosed
US-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES LABORATOIRES SERONO S.A. (CH) 2009-12-10 US disclosed
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2006-06-08 US disclosed
US-20050222225-A1 Use of compounds for increasing spermatozoa motility APPLIED RESEARCH SYSTEMS ARS HOLDING NV (NL) 2005-10-06 US disclosed
EP-1549644-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2005-07-06 EP disclosed
EP-1531813-A1 USE OF COMPOUNDS FOR INCREASING SPERMATOZOA MOTILITY Applied Research Systems ARS Holding N.V. (AN) 2005-05-25 EP disclosed
WO-2004007491-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-01-22 WO disclosed
WO-2004006916-A1 USE OF COMPOUNDS FOR INCREASING SPERMATOZOA MOTILITY APPLIED RESEARCH SYSTEMS ARS HOLDING NV (AN) 2004-01-22 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 (3 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-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES ZAP70, BRCA1, ZYX ALDH1A1 716/4885KDM4E 1961/4885CYP2A6 1490/4885
US-20050222225-A1 Use of compounds for increasing spermatozoa motility CATSPER1, PI4KB, MAN2B2 ALDH1A1 1935/4885KDM4E 2031/4885CYP2A6 4380/4885
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B ALDH1A1 678/4885KDM4E 2335/4885CYP2A6 1505/4885

“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.