SCHEMBL104540

SCHEMBL104540

O=[C]c1ccc(Cl)c(Cl)c1[C]=O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.32
MAPK1 P28482 2/20 0.32
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 2/20 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
SCHEMBL10624786 0.83 MAPK1 (0.31) MAPK1TDP1
SCHEMBL1312475 0.82 MAPK1 (0.36) CES1MAPK1CYP3A4TDP1
SCHEMBL103590 0.81 MAPK1 (0.30) MAPK1TDP1
SCHEMBL329657 0.80 MAPK1 (0.40) CES1MAPK1CYP3A4TDP1
SCHEMBL9022619 0.76
SCHEMBL9311176 0.74 CYP3A4 (0.31) MAPK1CYP3A4TDP1
SCHEMBL103338 0.73
SCHEMBL102469 0.71 CYP1A2 (0.36) CES1TDP1
SCHEMBL102072 0.71 CYP3A4 (0.39) MAPK1CYP3A4
SCHEMBL101710 0.71 CYP3A4 (0.33) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6953850-B1 Protecting groups for carbohydrate synthesis ALCHEMIA PTY. LTD. (AU) 2005-10-11 US claimed
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
US-6953850-B1 Protecting groups for carbohydrate synthesis ALCHEMIA PTY. LTD. (AU) 2005-10-11 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-20120035395-A1 PROCESS FOR PRODUCING PHTHALIC ACID COMPOUND INCLUDING CHLORINATED AROMATIC RING NISCH, DDT, CUL1 CES1 2373/4885MAPK1 3772/4885CYP3A4 494/4885

“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.