SCHEMBL3778180

SCHEMBL3778180

C=C(c1cccc(C(CCI)c2c(C)cccc2C(=O)O)c1)c1ccc2ccc(Cl)cc2n1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 1/20 0.34
▸ APLNR P35414 1/20 0.32
▸ CYSLTR2 Q9NS75 1/20 0.32
▸ CYSLTR1 Q9Y271 1/20 0.32
▸ SORT1 Q99523 1/20 0.32
▸ AR P10275 1/20 0.32
▸ TRPM8 Q7Z2W7 1/20 0.31
▸ MRGPRX4 Q96LA9 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
SCHEMBL1947899 0.92 CBLB (0.34) CBLBAPLNRCYSLTR2CYSLTR1SORT1
SCHEMBL5502332 0.87 CBLB (0.34) CBLBCYSLTR2CYSLTR1TRPM8
SCHEMBL3779584 0.81 PLA2G2A (0.38) CBLB
SCHEMBL5493630 0.79 PNP (0.38) CBLBCYSLTR2CYSLTR1TRPM8
SCHEMBL5498781 0.79 CBLB (0.34) CBLBCYSLTR2CYSLTR1TRPM8
SCHEMBL5502331 0.77 POLB (0.38) —
SCHEMBL5498778 0.76 POLB (0.40) —
SCHEMBL5493627 0.76 POLB (0.38) —
SCHEMBL1401054 0.73 PLA2G2A (0.38) CBLB
SCHEMBL1401180 0.73 PLA2G2A (0.38) CBLB

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
US-7858793-B2 Methyl 2-[(3S)-[3-[2E)-(7-chloro quinolin-2-yl) ethenyl] phenyl]-3-halopropyl] benzoates SATYANARAYANA CHAVA 2010-12-28 — — US claimed
US-20080275243-A1 Process for the Preparation of Polymorphs, Solvates of Aripiprazole Using Aripiprazole Acid Salts SATYANARAYANA CHAVA 2008-11-06 — — US claimed

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-20080275243-A1 Process for the Preparation of Polymorphs, Solvates of Aripiprazole Using Aripiprazole Acid Salts HTR3C, HTR3B, TPMT CBLB 3658/4885APLNR 4840/4885CYSLTR2 2907/4885

“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.

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