SCHEMBL2345792

SCHEMBL2345792

CCCCCCc1ccccc1N=C=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.49
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
BID P55957 3/20 0.42
MCL1 Q07820 3/20 0.42
BCL2L1 Q07817 2/20 0.42
BAK1 Q16611 2/20 0.42
KAT8 Q9H7Z6 2/20 0.42
PPARA Q07869 2/20 0.42
PPARG P37231 1/20 0.42
EP300 Q09472 1/20 0.42
KAT2A Q92830 1/20 0.42
KAT2B Q92831 1/20 0.42
KAT5 Q92993 1/20 0.42
SAE1 Q9UBE0 1/20 0.42

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
SCHEMBL5885469 1.00 LIPG (0.49) LIPGCYP3A4CYP2D6CYP2C9GABRA1
SCHEMBL13725696 1.00 LIPG (0.49) LIPGCYP3A4CYP2D6CYP2C9GABRA1
SCHEMBL5885134 1.00 LIPG (0.49) LIPGCYP3A4CYP2D6CYP2C9GABRA1
SCHEMBL29554576 1.00 LIPG (0.49) LIPGCYP3A4CYP2D6CYP2C9GABRA1
SCHEMBL5884676 1.00 LIPG (0.49) LIPGCYP3A4CYP2D6CYP2C9GABRA1
SCHEMBL10400982 1.00 LIPG (0.49) LIPGCYP3A4CYP2D6CYP2C9GABRA1
SCHEMBL5885574 1.00 LIPG (0.49) LIPGCYP3A4CYP2D6CYP2C9GABRA1
SCHEMBL5885474 1.00 LIPG (0.49) LIPGCYP3A4CYP2D6CYP2C9GABRA1
SCHEMBL5885360 1.00 LIPG (0.49) LIPGCYP3A4CYP2D6CYP2C9GABRA1
SCHEMBL2350176 0.98 CYP3A4 (0.46) LIPGCYP3A4CYP2D6CYP2C9GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078724-B1 PROCESS FOR PRODUCTION OF DIALKYLTIN DIALKOXIDES ASAHI CHEMICAL IND (JP) 2016-11-30 EP disclosed
US-9029482-B2 Method for preparing polycondensation resin CHEIL INDUSTRIES INC. (KR) 2015-05-12 US disclosed
US-20130165621-A1 Method for Preparing Polycondensation Resin CHEIL INDUSTRIES INC. (KR) 2013-06-27 US disclosed
US-8008518-B2 Process for producing dialkyl tin dialkoxides ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-08-30 US disclosed
US-20100041908-A1 PROCESS FOR PRODUCING DIALKYL TIN DIALKOXIDES ASAHI KASEI KABUSHIKI KAISHA (JP) 2010-02-18 US disclosed
EP-2078724-A1 PROCESS FOR PRODUCTION OF DIALKYLTIN DIALKOXIDES Asahi Kasei Chemicals Corporation (JP) 2009-07-15 EP disclosed
US-7022257-B1 Coating composition and floor material coated with said composition SHIN-NAKAMURA CHEMICAL CO., LTD. (JP) 2006-04-04 US disclosed
US-20020175299-A1 Ultraviolet irradiation apparatus and method of forming cured coating film using the apparatus GEN MAINTENANCE TECHNOLOGY INC. (JP) 2002-11-28 US disclosed
EP-0449143-A2 Low temperature active aliphatic/aromatic polycarbodiimides UNION CARBIDE CHEMICALS AND PLASTICS COMPANY INC. (a New York corporation) (US) 1991-10-02 EP disclosed
US-5008363-A Low temperature active aliphatic aromatic polycarbodiimides UNION CARBIDE CHEMICALS AND PLASTICS TECHNOLOGY CORPORATION (US) 1991-04-16 US disclosed
US-3956237-A HINDERED UREA OR THIOUREA THE DOW CHEMICAL COMPANY (US) 1976-05-11 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 (1 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-20100041908-A1 PROCESS FOR PRODUCING DIALKYL TIN DIALKOXIDES DEK, DDT, DERA LIPG 3989/4885CYP3A4 45/4885CYP2D6 49/4885

“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.