SCHEMBL3960802

SCHEMBL3960802

CCOC(=O)[C@H](Cc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(Cl)cc2)cc1)OCC

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
TRPM8 Q7Z2W7 2/20 0.47
PPARA Q07869 7/20 0.47
TP53 P04637 2/20 0.46
THRB P10828 1/20 0.45
POLB P06746 1/20 0.44
PPARG P37231 5/20 0.44
PPARD Q03181 1/20 0.42

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
SCHEMBL3963635 0.96 TRPM8 (0.54) MAPTTRPM8PPARATP53POLB
SCHEMBL3956888 0.95 TP53 (0.53) MAPTTRPM8PPARATP53THRB
SCHEMBL3960804 0.93 MEN1 (0.46) MAPTTRPM8PPARATP53THRB
SCHEMBL3965746 0.92 PPARA (0.50) MAPTTRPM8PPARATP53THRB
SCHEMBL3969064 0.90 PPARA (0.60) PPARAPPARGPPARD
SCHEMBL3964395 0.88 PPARA (0.58) MAPTTRPM8PPARATP53THRB
SCHEMBL3960349 0.87 PPARA (0.59) TRPM8PPARAPPARGPPARD
SCHEMBL3961379 0.87 PPARA (0.57) PPARAPPARGPPARD
SCHEMBL3963785 0.86 TRPM8 (0.49) MAPTTRPM8PPARATP53THRB
SCHEMBL3966536 0.86 PPARA (0.56) PPARAPPARGPPARD

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-7488844-B2 Therapeutic agents ASTRAZENECA AB (SE) 2009-02-10 US disclosed
US-20050282822-A1 Therapeutic agents ASTRAZENECA AB (SE) 2005-12-22 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-20050282822-A1 Therapeutic agents GPR119, LIPC, PNLIP MAPT 4345/4885TRPM8 4071/4885PPARA 346/4885

“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.