SCHEMBL101544

SCHEMBL101544

O=[C]c1ccc(C(=O)Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
TSHR P16473 3/20 0.33
GSK3B P49841 2/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
TP53 P04637 1/20 0.33
MMP2 P08253 1/20 0.32
MMP12 P39900 1/20 0.32
ALOX15 P16050 1/20 0.32
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
NAPRT Q6XQN6 1/20 0.31
PARP15 Q460N3 1/20 0.31
PARP10 Q53GL7 1/20 0.31
PARP2 Q9UGN5 1/20 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
SCHEMBL18833038 0.88 TRPA1 (0.42) ALDH1A1CA1CA2
SCHEMBL9397364 0.82 TSHR (0.35) ALDH1A1CA1CA2TSHRGSK3B
SCHEMBL20587670 0.81 ALDH1A1 (0.59) ALDH1A1CA1CA2TSHRCES2
SCHEMBL68148 0.81 ALDH1A1 (0.59) ALDH1A1CA1CA2TSHRCES2
SCHEMBL11238566 0.79 SRD5A2 (0.50) ALDH1A1CA1CA2
SCHEMBL10411962 0.78 ALDH1A1 (0.43) ALDH1A1CA1CA2MMP2MMP12
SCHEMBL1950 0.78 CA2 (0.61) ALDH1A1CA1CA2TSHRGSK3B
SCHEMBL107623 0.78 ALDH1A1 (0.43) ALDH1A1CA1CA2
SCHEMBL28787222 0.78 ALDH1A1 (0.56) ALDH1A1CA1CA2TSHRCES2
Ammonia Solution, Strong SCHEMBL2023211 0.78 ALDH1A1 (0.56) ALDH1A1CA1CA2TSHRCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ALDH1A1 2049/4885CA1 549/4885CA2 436/4885

“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.