SCHEMBL4676943

SCHEMBL4676943

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
TSHR P16473 3/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 2/20 0.37
LMNA P02545 1/20 0.37
HCAR2 Q8TDS4 3/20 0.37
PTPN1 P18031 1/20 0.37
BLM P54132 1/20 0.35
ESR1 P03372 1/20 0.33
RARB P10826 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA1 P00915 2/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL697493 0.87 TDP1 (0.46) ATMTSHRALDH1A1TDP1LMNA
SCHEMBL6903301 0.85 ATM (0.59) ATMTSHRHPGDALDH1A1CYP3A4
SCHEMBL11748614 0.85 ATM (0.59) ATMTSHRHPGDALDH1A1CYP3A4
SCHEMBL6903305 0.85 ATM (0.59) ATMTSHRHPGDALDH1A1CYP3A4
SCHEMBL4967675 0.84 ATM (0.48) ATMTSHRHPGDALDH1A1CYP3A4
SCHEMBL4967684 0.84 ATM (0.48) ATMTSHRHPGDALDH1A1CYP3A4
SCHEMBL650621 0.82 TSHR (0.63) ATMTSHRHPGDALDH1A1CYP3A4
SCHEMBL6453889 0.82 ATM (0.55) ATMTSHRHPGDALDH1A1CYP3A4
SCHEMBL6970181 0.80 ATM (0.44) ATMTSHRHPGDALDH1A1CYP3A4
SCHEMBL8092487 0.79 ATM (0.57) ATMTSHRHPGDALDH1A1CYP3A4

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 16 patents. 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
EP-1095935-A1 6-Hydroxy-5,6-dihydrouracils as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-05-02 EP disclosed
US-6204222-B1 SUITABLE AS HERBICIDES AND FOR DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-20 US disclosed
US-5981557-A HAVING IMPROVING EFFECTS ON THE DYSMOTILITY IN THE GASTROINTESTINAL TRACT ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-11-09 US disclosed
US-5885934-A HERBICIDES OR FOR THE DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 1999-03-23 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-5817603-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-10-06 US 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 ATM 1834/4885TSHR 1686/4885HPGD 3255/4885
US-20040248981-A1 Benzamidine derivatives HABP2, F7, F2 ATM 1861/4885TSHR 1631/4885HPGD 3234/4885

“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.