SCHEMBL102019

SCHEMBL102019

O=[C]c1c(Cl)c(Cl)c(Cl)c([C]=O)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL1312139 0.96 MEN1 (0.42) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL101012 0.93 MEN1 (0.37) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL103163 0.89 MEN1 (0.42) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL10490624 0.80 MEN1 (0.32) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL5432916 0.76 MEN1 (0.33) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL777074 0.74
SCHEMBL10611655 0.72 NOTUM (0.31)
SCHEMBL1312947 0.71 CYP3A4 (0.47) MEN1ALDH1A1CYP3A4MAPTHPGD
SCHEMBL1312705 0.67 CYP3A4 (0.50) MEN1ALDH1A1CYP3A4MAPTHPGD
Chlorothalonil SCHEMBL1487631 0.64 MEN1 (1.00) MEN1ALDH1A1TP53CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11279350-A None JP disclosed
JP-11279417-A None JP disclosed
JP-11276985-A None JP disclosed
EP-2426102-A1 PROCESS FOR PRODUCING PHTHALIC ACID COMPOUND INCLUDING CHLORINATED AROMATIC RING Sumitomo Chemical Company, Limited (JP) 2012-03-07 EP disclosed
US-20120035395-A1 PROCESS FOR PRODUCING PHTHALIC ACID COMPOUND INCLUDING CHLORINATED AROMATIC RING SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-09 US disclosed
JP-H11279417-A ANTIBACTERIAL AND ANTIFUNGAL RESIN COMPOSITION SANYO ELECTRIC CO LTD 1999-10-12 JP disclosed
JP-H11279350-A ANTIMICROBIAL ANTIFUNGAL RESIN COMPOSITION SANYO ELECTRIC CO LTD 1999-10-12 JP disclosed
JP-H11276985-A ANTIBACTERIAL MILDEWPROOF PRECOATED STEEL SHEET SANYO ELECTRIC CO LTD 1999-10-12 JP 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-20120035395-A1 PROCESS FOR PRODUCING PHTHALIC ACID COMPOUND INCLUDING CHLORINATED AROMATIC RING NISCH, DDT, CUL1 MEN1 1575/4885ALDH1A1 2049/4885TP53 221/4885

“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.