SCHEMBL1612308

SCHEMBL1612308

CCCCN(C(=O)O)C1CC(OCc2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.50
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CETP P11597 3/20 0.40
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39

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
SCHEMBL3828309 0.78 OPRM1 (0.47) TRPM8ALDH1A1OPRM1OPRL1
SCHEMBL3828306 0.78 OPRM1 (0.47) TRPM8ALDH1A1OPRM1OPRL1
SCHEMBL3834261 0.78 OPRM1 (0.47) TRPM8ALDH1A1OPRM1OPRL1
SCHEMBL23145404 0.75 ALDH1A1 (0.38) TRPM8ALDH1A1L3MBTL1CYP3A4TSHR
SCHEMBL22906968 0.72 OPRM1 (0.49) ALDH1A1TSHROPRM1OPRL1
SCHEMBL15334888 0.72 OPRM1 (0.49) ALDH1A1TSHROPRM1OPRL1
SCHEMBL21384308 0.72 TSHR (0.58) ALDH1A1L3MBTL1CYP3A4TSHRMAPK1
SCHEMBL1612684 0.71 L3MBTL1 (0.39) TRPM8ALDH1A1L3MBTL1CYP3A4
SCHEMBL4313351 0.71 EPHX2 (0.44) ALDH1A1L3MBTL1CYP3A4TSHRMAPK1
SCHEMBL20128961 0.71 TSHR (0.46) ALDH1A1L3MBTL1CYP3A4TSHRMAPK1

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-20110086842-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 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-20110086842-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP TRPM8 4674/4885ALDH1A1 971/4885L3MBTL1 849/4885

“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.