SCHEMBL16502004

SCHEMBL16502004

CCN(Cc1cc(C)ccc1-c1cncc(CC(=O)O)c1)C(=O)Cc1ccc(C)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.38
PTGDR2 Q9Y5Y4 8/20 0.38
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
LMNA P02545 2/20 0.34
TP53 P04637 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SHMT1 P34896 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL16501933 0.91 SHMT1 (0.36) TRPM8PTGDR2CYP11B1CYP11B2ALDH1A1
SCHEMBL1922453 0.89 PTGDR2 (0.50) PTGDR2TBXA2RPTGDR
SCHEMBL16501867 0.88 PTGDR2 (0.43) TRPM8PTGDR2CYP11B1CYP11B2LMNA
SCHEMBL16501944 0.84 ALDH1A1 (0.46) TRPM8PTGDR2CYP11B1CYP11B2LMNA
SCHEMBL16501935 0.84 CYP11B1 (0.42) TRPM8PTGDR2CYP11B1CYP11B2ALDH1A1
SCHEMBL16501913 0.83 LMNA (0.46) TRPM8PTGDR2CYP11B1CYP11B2LMNA
SCHEMBL16501939 0.83 TRPM8 (0.46) TRPM8LMNATP53ALDH1A1POLB
SCHEMBL16501932 0.83 TRPM8 (0.45) TRPM8PTGDR2CYP11B1CYP11B2LMNA
SCHEMBL16501926 0.82 CYP11B1 (0.39) TRPM8PTGDR2CYP11B1CYP11B2LMNA
SCHEMBL16501924 0.81 TRPM8 (0.36) TRPM8ALDH1A1NPC1NFKB1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 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-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 TRPM8 743/4885PTGDR2 2/4885CYP11B1 173/4885

“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.