SCHEMBL15046621

SCHEMBL15046621

Cc1ccc(=O)n(CC2(O)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
USP19 O94966 13/20 0.37
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
BLM P54132 1/20 0.36
HSD17B10 Q99714 1/20 0.36
USP7 Q93009 3/20 0.34
MAPK14 Q16539 1/20 0.33

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
SCHEMBL14406952 0.77 BRD4 (0.38) KDM4EALDH1A1POLBMAPTUSP19
SCHEMBL11983452 0.71 ALDH1A1 (0.60) KDM4EALDH1A1POLBMAPTCYP1A2
SCHEMBL18102201 0.71 ALDH1A1 (0.60) KDM4EALDH1A1POLBMAPTCYP1A2
SCHEMBL11929541 0.71 ALDH1A1 (0.59) KDM4EALDH1A1POLBMAPTCYP1A2
SCHEMBL24989822 0.70 KDM4E (0.58) KDM4EALDH1A1POLBMAPTCYP1A2
SCHEMBL27739339 0.70 KDM4E (0.58) KDM4EALDH1A1POLBMAPTCYP1A2
SCHEMBL4591133 0.69 KDM4E (1.00) KDM4EALDH1A1POLBMAPTCYP1A2
SCHEMBL14407047 0.68 ALDH1A1 (0.56) KDM4EALDH1A1POLBMAPTCYP1A2
SCHEMBL16075165 0.68 KDM4E (0.51) KDM4EALDH1A1POLBMAPTCYP1A2
SCHEMBL11929544 0.68 KDM4E (0.56) KDM4EALDH1A1POLBMAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096527-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2015-08-04 US disclosed
US-8952009-B2 Chroman derivatives as TRPM8 inhibitors AMGEN INC. (US) 2015-02-10 US disclosed
US-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC (US) 2015-01-29 US disclosed
US-20140171406-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-06-19 US disclosed
US-20140045855-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC. (US) 2014-02-13 US disclosed
US-20130157996-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2013-06-20 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 (4 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-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS TRPM8, TRPM5, TRPM7 KDM4E 2769/4885ALDH1A1 4469/4885POLB 4377/4885
US-20140045855-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS TRPM8, TRPM5, TRPM7 KDM4E 2769/4885ALDH1A1 4469/4885POLB 4377/4885
US-20140171406-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 KDM4E 3641/4885ALDH1A1 4051/4885POLB 4413/4885
US-20130157996-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 KDM4E 3641/4885ALDH1A1 4051/4885POLB 4413/4885

“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.