SCHEMBL3787327

SCHEMBL3787327

CC(C)(C)c1ccc(OCC(=O)O)cn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.60
ALDH1A1 P00352 3/20 0.53
ALOX15 P16050 1/20 0.47
EPHX2 P34913 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
TSHR P16473 1/20 0.44
NR4A1 P22736 1/20 0.44
APEX1 P27695 1/20 0.44
MCL1 Q07820 1/20 0.44
PTPN7 P35236 2/20 0.44
FFAR1 O14842 1/20 0.44
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
PTPN12 Q05209 1/20 0.42
LMNA P02545 1/20 0.42
IDO1 P14902 1/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL15119424 0.87 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1ALOX15TSHRNR4A1
SCHEMBL29540443 0.83 MRGPRX4 (0.56) SMN1; SMN2ALDH1A1ALOX15PTPN7FFAR1
SCHEMBL360071 0.83 MRGPRX4 (0.56) SMN1; SMN2ALDH1A1ALOX15PTPN7FFAR1
Trifluoroacetic Acid SCHEMBL31439609 0.80 MRGPRX4 (0.52) SMN1; SMN2ALDH1A1ALOX15PTPN7FFAR1
SCHEMBL29416383 0.77 ALOX15 (0.52) SMN1; SMN2ALDH1A1ALOX15TSHRNR4A1
SCHEMBL2435587 0.77 ALOX15 (0.52) SMN1; SMN2ALDH1A1ALOX15TSHRNR4A1
SCHEMBL12710188 0.77 NQO1 (0.50) SMN1; SMN2ALDH1A1TSHRMEN1MAPT
SCHEMBL20249191 0.76 L3MBTL1 (0.41) ALDH1A1MEN1MAPTKMT2ACYP4F2
Bromide SCHEMBL6993690 0.76 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1ALOX15TSHRNR4A1
SCHEMBL29174281 0.76 LMNA (0.50) SMN1; SMN2ALDH1A1TSHRMEN1MAPT

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-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
EP-2054411-B1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORP (KR) 2014-08-20 EP disclosed
US-20140045855-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC. (US) 2014-02-13 US disclosed
US-7858621-B2 Compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same AMOREPACIFIC CORPORATION (KR) 2010-12-28 US disclosed
EP-2054411-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Amorepacific Corporation (KR) 2009-05-06 EP disclosed
US-20080312234-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2008-12-18 US disclosed
WO-2008013414-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2008-01-31 WO disclosed
EP-1882687-A1 Heterocyclic compounds useful as vanilloid receptor antagonists and pharmaceutical compositions containing the same Amorepacific Corporation (KR) 2008-01-30 EP 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 (3 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-20080312234-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, TRPV2 SMN1; SMN2 1290/4885ALDH1A1 797/4885ALOX15 498/4885
US-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS TRPM8, TRPM5, TRPM7 SMN1; SMN2 923/4885ALDH1A1 4469/4885ALOX15 3341/4885
US-20140045855-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS TRPM8, TRPM5, TRPM7 SMN1; SMN2 923/4885ALDH1A1 4469/4885ALOX15 3341/4885

“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.