SCHEMBL4676099

SCHEMBL4676099

[CH2]C(=O)OCCCC(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
BLM P54132 1/20 0.38
PTPN1 P18031 1/20 0.35
CA1 P00915 3/20 0.34
TSHR P16473 3/20 0.34
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
RARB P10826 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.33
ACHE P22303 1/20 0.33
CYP19A1 P11511 1/20 0.33

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
SCHEMBL6463641 0.91 RARB (0.39) TDP1BLMTSHRRARBALDH1A1
SCHEMBL697299 0.86
SCHEMBL7177092 0.84 BLM (0.50) TDP1BLMPTPN1CA1CA12
SCHEMBL9069149 0.81 BLM (0.40) TDP1BLMPTPN1CA1CA12
SCHEMBL8857039 0.81 BLM (0.40) TDP1BLMPTPN1CA1CA12
SCHEMBL4675873 0.79 BLM (0.39) TDP1BLMPTPN1CA1CA12
SCHEMBL1462721 0.79 BLM (0.43) TDP1BLMPTPN1CA1CA12
SCHEMBL5314330 0.79 CA1 (0.40) TDP1BLMPTPN1CA1CA12
SCHEMBL1462720 0.79 CA1 (0.40) TDP1BLMPTPN1CA1CA12
SCHEMBL126613 0.79 ALDH1A1 (0.56) TDP1BLMPTPN1CA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095935-B1 6-Hydroxy-5,6-dihydrouracils as herbicides SUMITOMO CHEMICAL CO (JP) 2008-12-17 EP disclosed
EP-1101761-B1 Process for producing 3-phenyluracil compounds SUMITOMO CHEMICAL CO (JP) 2005-08-17 EP 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
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-6410484-B1 ACTIVE MATERIAL; CONTROLLING WEEDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-25 US disclosed
US-6339155-B1 Process for producing 3-phenyluracil compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-15 US disclosed
EP-1101761-A2 Process for producing 3-phenyluracil compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-05-23 EP disclosed
CN-1158122-A Substituted triazolinones as plant protective agents BASF AG (DE) 1997-08-27 CN disclosed
EP-0777658-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1997-06-11 EP disclosed
US-5602074-A HERBICIDES; PLANT DESICCATION, DEFOLIATION BASF AKTIENGESELLSCHAFT (DE) 1997-02-11 US disclosed
WO-1996005179-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-02-22 WO 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-1994011344-A1 SUBSTITUTED 3,4,5,6-TETRAHYDROPHTHALIMIDES FOR USE AS HERBICIDES AND/OR DEFOLIANTS OR DESICCANTS BASF AKTIENGESELLSCHAFT (DE) 1994-05-26 WO 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
EP-0488301-A1 New benzopyran compounds with pharmacological activity J. URIACH & CIA. S.A. (ES) 1992-06-03 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 TDP1 3779/4885BLM 748/4885PTPN1 3849/4885
US-20040248981-A1 Benzamidine derivatives HABP2, F7, F2 TDP1 3881/4885BLM 744/4885PTPN1 3857/4885

“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.