SCHEMBL15043744

SCHEMBL15043744

C=C1Nc2cc(C(C)(C)C)ccc2O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.35
ALDH1A1 P00352 4/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
JUN P05412 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
KIF11 P52732 3/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
NR1H3 Q13133 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 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
SCHEMBL10131272 0.86 ALDH1A1 (0.34) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL21628211 0.85 ACE2 (0.42) ACE2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL27344285 0.77 ACE2 (0.54) ACE2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL21628218 0.77 ALOX5 (0.59) ACE2ALDH1A1KIF11GAA
SCHEMBL12928758 0.75 MMP12 (0.41) ALDH1A1KIF11KMT2ATRPV1
SCHEMBL7988325 0.75 ALDH1A1 (0.36) ACE2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL30811571 0.72 ACE2 (0.49) ACE2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL27344284 0.72 ACE2 (0.49) ACE2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL27344291 0.72 ACE2 (0.49) ACE2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL30894440 0.71 ACE2 (0.34) ACE2JUNNFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
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-20140171639-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-06-19 US disclosed
US-8710043-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2014-04-29 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 (7 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 ACE2 3160/4885ALDH1A1 4469/4885HPGD 1063/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP ACE2 2505/4885ALDH1A1 312/4885HPGD 1749/4885
US-20140045855-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS TRPM8, TRPM5, TRPM7 ACE2 3160/4885ALDH1A1 4469/4885HPGD 1063/4885
US-20140171639-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 ACE2 3112/4885ALDH1A1 4051/4885HPGD 1009/4885
US-20140171406-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 ACE2 3112/4885ALDH1A1 4051/4885HPGD 1009/4885
US-20130157996-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 ACE2 3112/4885ALDH1A1 4051/4885HPGD 1009/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP ACE2 2505/4885ALDH1A1 312/4885HPGD 1749/4885

“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.