SCHEMBL1454752

SCHEMBL1454752

[CH2]/C=C/C(C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.44
TAAR1 Q96RJ0 3/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2C P18825 1/20 0.37
CYP2D6 P10635 1/20 0.37
LMNA P02545 1/20 0.37
HIF1A Q16665 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.35
DPP4 P27487 2/20 0.35
F2 P00734 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL1454753 1.00 TRPA1 (0.44) TRPA1TAAR1ADRA2AADRA2CCYP2D6
SCHEMBL6860167 0.80 TRPA1 (0.47) TRPA1TAAR1ADRA2AADRA2CCYP2D6
SCHEMBL5855141 0.78 TRPA1 (0.45) TRPA1TAAR1ADRA2AADRA2CCYP2D6
SCHEMBL5855165 0.78 TRPA1 (0.45) TRPA1TAAR1ADRA2AADRA2CCYP2D6
SCHEMBL15914233 0.78 TRPA1 (0.45) TRPA1TAAR1ADRA2AADRA2CCYP2D6
SCHEMBL6014583 0.76 TRPA1 (0.44) TRPA1TAAR1ADRA2AADRA2CLMNA
SCHEMBL7449638 0.76 TRPA1 (0.44) TRPA1TAAR1ADRA2AADRA2CCYP2D6
SCHEMBL4071497 0.76 TRPA1 (0.48) TRPA1TAAR1ADRA2AADRA2CCYP2D6
SCHEMBL6014580 0.76 TRPA1 (0.44) TRPA1TAAR1ADRA2AADRA2CLMNA
SCHEMBL27588987 0.76 TRPA1 (0.44) TRPA1TAAR1ADRA2AADRA2CCYP2D6

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-7910617-B2 Method for suppressing the number of peripheral blood lymphocytes using an amino alcohol compound SANKYO COMPANY, LIMITED (JP) 2011-03-22 US disclosed
US-20070191468-A1 Amino alcohol compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2007-08-16 US disclosed
EP-1733724-A1 AMINO ALCOHOL COMPOUND Sankyo Company, Limited (JP) 2006-12-20 EP disclosed
EP-1505156-B1 Process for the enantioselective preparation of secondary alcohols by lipase catalysed solvolysis of the corresponding acetoacetic acid ester CONSORTIUM ELEKTROCHEM IND (DE) 2005-12-07 EP disclosed
US-20050032182-A1 Process for the enantioselective preparation of secondary alcohols by lipase-catalyzed solvolysis of the corresponding acetoacetic esters CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH 2005-02-10 US disclosed
EP-1505156-A1 Process for the enantioselective preparation of secondary alcohols by lipase catalysed solvolysis of the corresponding acetoacetic acid ester Consortium für elektrochemische Industrie GmbH (DE) 2005-02-09 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 (2 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-20070191468-A1 Amino alcohol compound ADH1A, ADH1C, BCAT1 TRPA1 3080/4885TAAR1 54/4885ADRA2A 363/4885
US-20050032182-A1 Process for the enantioselective preparation of secondary alcohols by lipase-catalyzed solvolysis of the corresponding acetoacetic esters LIPC, LIPE, LIPA TRPA1 4736/4885TAAR1 1755/4885ADRA2A 1174/4885

“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.