SCHEMBL6797453

SCHEMBL6797453

C[CH]C(=O)OC(C)CC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.38
TSHR P16473 2/20 0.35
RNPEP Q9H4A4 1/20 0.34
SLC7A5 Q01650 1/20 0.34
ANPEP P15144 3/20 0.33
LAP3 P28838 2/20 0.33
ERAP1 Q9NZ08 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
CHRM2 P08172 2/20 0.31
CHRM4 P08173 2/20 0.31
CHRM1 P11229 2/20 0.31
TBXA2R P21731 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
CTSK P43235 1/20 0.31

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
SCHEMBL3482499 0.83 HCAR2 (0.48) CYP19A1TSHRRNPEPSLC7A5ANPEP
SCHEMBL11741771 0.83 HCAR2 (0.48) CYP19A1TSHRRNPEPSLC7A5ANPEP
SCHEMBL9719175 0.83 HCAR2 (0.48) CYP19A1TSHRRNPEPSLC7A5ANPEP
SCHEMBL23116186 0.82 HCAR2 (0.39) CYP19A1TSHRRNPEPSLC7A5ANPEP
SCHEMBL273806 0.82 HCAR2 (0.39) CYP19A1TSHRRNPEPSLC7A5ANPEP
SCHEMBL273808 0.82 HCAR2 (0.39) CYP19A1TSHRRNPEPSLC7A5ANPEP
SCHEMBL1362099 0.81
SCHEMBL34676 0.79 TSHR (0.54) CYP19A1TSHRRNPEPSLC7A5ANPEP
SCHEMBL7002370 0.77 FAAH (0.36) TSHRHCAR2CHRM1CTSKCHRM3
SCHEMBL3516990 0.77 HCAR2 (0.59) CYP19A1TSHRRNPEPSLC7A5ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160050930-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS SYNGENTA LIMITED (UK) 2016-02-25 US disclosed
EP-2978316-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS Syngenta Participations AG (CH) 2016-02-03 EP disclosed
WO-2014154488-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS SYNGENTA PARTICIPATIONS AG (CH) 2014-10-02 WO disclosed
CN-1293052-C Benzamidine derivatives SANKYO CO (JP) 2007-01-03 CN disclosed
CN-1572882-A Benzamidine derivatives SANKYO CO (JP) 2005-02-02 CN disclosed
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
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
CN-1413189-A Benzamidine derivatives SANKYO CO (JP) 2003-04-23 CN disclosed
EP-1245564-A1 BENZAMIDINE DERIVATIVES Sankyo Company, Limited (JP) 2002-10-02 EP disclosed
US-6204222-B1 SUITABLE AS HERBICIDES AND FOR DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-20 US disclosed
EP-0777658-B1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AG (DE) 1999-12-15 EP disclosed
EP-0637298-B1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF AG (DE) 1999-03-31 EP disclosed
US-5885934-A HERBICIDES OR FOR THE DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 1999-03-23 US disclosed
US-5817603-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-10-06 US disclosed
US-5602074-A HERBICIDES; PLANT DESICCATION, DEFOLIATION BASF AKTIENGESELLSCHAFT (DE) 1997-02-11 US disclosed
EP-0641321-A1 SUBSTITUTED ISOINDOLONES BASF Aktiengesellschaft (DE) 1995-03-08 EP disclosed
EP-0637298-A1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF Aktiengesellschaft (DE) 1995-02-08 EP disclosed
WO-1993024456-A1 SUBSTITUTED ISOINDOLONES BASF AKTIENGESELLSCHAFT (DE) 1993-12-09 WO disclosed
WO-1993022280-A1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF AKTIENGESELLSCHAFT (DE) 1993-11-11 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-20040010009-A1 Benzamidine derivatives HABP2, F7, F2 CYP19A1 1187/4885TSHR 1686/4885RNPEP 252/4885
US-20040248981-A1 Benzamidine derivatives HABP2, F7, F2 CYP19A1 1174/4885TSHR 1631/4885RNPEP 229/4885
US-20160050930-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS DDT, CRY1, NISCH CYP19A1 249/4885TSHR 805/4885RNPEP 415/4885

“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.