SCHEMBL6789778

SCHEMBL6789778

[CH2]CCCC(=O)OCCC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.42
DGKA P23743 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
CA1 P00915 2/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
MAPT P10636 2/20 0.37
ADRA2A P08913 1/20 0.36
ADRA1A P35348 1/20 0.36
DNM1 Q05193 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
BLM P54132 1/20 0.35
MAPK1 P28482 2/20 0.35
PKM P14618 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL6973755 0.91 DGKA (0.41) CYP19A1DGKATDP1CA1MAPT
SCHEMBL6789825 0.88 CYP19A1 (0.45) CYP19A1DGKATDP1CA1CA12
SCHEMBL28873685 0.88 DGKA (0.53) DGKATDP1MAPTDNM1CYP3A4
SCHEMBL14672499 0.88 DGKA (0.48) CYP19A1DGKATDP1CA1CA12
SCHEMBL249563 0.88 DGKA (0.54) CYP19A1DGKATDP1CA1CA12
SCHEMBL494383 0.86 DGKA (0.57) CYP19A1DGKATDP1CA1CA12
SCHEMBL4160276 0.86 DGKA (0.47) CYP19A1DGKATDP1CA1CA12
SCHEMBL247200 0.86 DGKA (0.57) CYP19A1DGKATDP1CA1CA12
SCHEMBL494501 0.86 DGKA (0.57) CYP19A1DGKATDP1CA1CA12
SCHEMBL249240 0.86 DGKA (0.57) CYP19A1DGKATDP1CA1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040248981-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-12-09 US disclosed
US-20040010009-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-15 US disclosed
EP-0870765-B1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARM CO LTD (JP) 2003-11-19 EP disclosed
US-6555556-B1 N-(4-(1-acetimidoylpiperidin-4-yl)oxyphenyl)-N-((E)-3-(3 -amidinophenyl)-2-methyl-2-propenyl)sulfamoylacetic acid dihydrochloride for example; factor Xa inhibitors SANKYO COMPANY, LIMITED (JP) 2003-04-29 US disclosed
EP-1245564-A1 BENZAMIDINE DERIVATIVES Sankyo Company, Limited (JP) 2002-10-02 EP disclosed
US-5981557-A HAVING IMPROVING EFFECTS ON THE DYSMOTILITY IN THE GASTROINTESTINAL TRACT ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-11-09 US disclosed
EP-0870765-A1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed
US-5670563-A ORGANOTIN COMPOUND, PHOSPHORUS COMPOUND CIBA-SPECIALTY CHEMICALS CORPORATION (US) 1997-09-23 US disclosed
EP-0721454-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA. S.A. (ES) 1996-07-17 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 (2 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-20040010009-A1 Benzamidine derivatives HABP2, F7, F2 CYP19A1 1187/4885DGKA 3633/4885TDP1 3779/4885
US-20040248981-A1 Benzamidine derivatives HABP2, F7, F2 CYP19A1 1174/4885DGKA 3658/4885TDP1 3881/4885

“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.