Benzene

Benzene

SCHEMBL2280559

CS(=O)(=O)Cc1cc(Br)ccc1Oc1cccc(CC(=O)O)c1.c1ccccc1

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 13/20 0.48
PPARD Q03181 1/20 0.45
THRA P10827 3/20 0.40
THRB P10828 3/20 0.40
FFAR1 O14842 1/20 0.40
NR3C1 P04150 1/20 0.38

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
SCHEMBL2280552 0.88 PTGDR2 (0.50) PTGDR2PPARDTHRATHRBFFAR1
SCHEMBL2278086 0.87 PTGDR2 (0.54) PTGDR2PPARDTHRATHRBFFAR1
SCHEMBL2286048 0.85 PTGDR2 (0.47) PTGDR2PPARDTHRATHRBFFAR1
SCHEMBL2280539 0.84 PTGDR2 (0.43) PTGDR2PPARDNR3C1
SCHEMBL2285921 0.81 PTGDR2 (0.45) PTGDR2PPARDTHRATHRBFFAR1
SCHEMBL2277977 0.81 PPARD (0.49) PTGDR2PPARDTHRATHRBFFAR1
SCHEMBL2280428 0.81 PTGDR2 (0.41) PTGDR2PPARDTHRATHRB
Benzene SCHEMBL2281937 0.81 PPARD (0.44) PTGDR2PPARDTHRATHRBFFAR1
SCHEMBL2282723 0.80 PTGDR2 (0.41) PTGDR2PPARDTHRATHRBFFAR1
SCHEMBL2281413 0.80 CYP1A2 (0.49) PTGDR2PPARDTHRATHRBFFAR1

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-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US claimed
WO-2010003127-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 WO claimed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
WO-2010003127-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 WO 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-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885PPARD 27/4885THRA 863/4885

“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.