SCHEMBL103281

SCHEMBL103281

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CES2 O00748 3/20 0.33
CES1 P23141 3/20 0.33
GSK3B P49841 2/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
MMP2 P08253 1/20 0.32
MMP12 P39900 1/20 0.32
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
PARP15 Q460N3 1/20 0.31
PARP10 Q53GL7 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
APP P05067 1/20 0.30

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
SCHEMBL102601 0.81 TSHR (0.47) CA1CA2CES2CES1TP53
SCHEMBL11238566 0.79 SRD5A2 (0.50) CA1CA2
SCHEMBL27556931 0.78 CA2 (0.61) CA1CA2GSK3BPARP15PARP10
SCHEMBL23390996 0.78 PTPN1 (0.42) CA1CA2
SCHEMBL5808115 0.77 CA1 (0.38) CA1CA2CES2CES1GSK3B
SCHEMBL536808 0.77 TSHR (0.63) CA1CA2CES2CES1TP53
Bicarbonate SCHEMBL11402475 0.75 TSHR (0.35) CA1CA2CES2CES1TP53
SCHEMBL4757633 0.75 PARP10 (0.52) CA1CA2TSHRPARP15PARP10
SCHEMBL97267 0.75 MAPT (0.50)
SCHEMBL8401560 0.75 CA1 (0.37) CA1CA2CES2CES1GSK3B

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 CA1 549/4885CA2 436/4885CES2 1415/4885

“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.