SCHEMBL1658716

SCHEMBL1658716

CCCCC(C)C(C)CCO

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
OPRM1 P35372 1/20 0.42
LMNA P02545 3/20 0.41
TSHR P16473 3/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.38
DNM1 Q05193 2/20 0.38
FDPS P14324 1/20 0.37
CA2 P00918 2/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL234642 0.92 OPRM1 (0.52) ALDH1A1SMN1; SMN2OPRM1LMNATSHR
SCHEMBL1657137 0.89 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2OPRM1LMNATSHR
SCHEMBL3185161 0.85 DNM1 (0.47) ALDH1A1SMN1; SMN2OPRM1LMNATSHR
SCHEMBL22345156 0.85 DNM1 (0.47) ALDH1A1SMN1; SMN2OPRM1LMNATSHR
SCHEMBL1051731 0.83 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2OPRM1LMNATSHR
SCHEMBL1051985 0.82 TSHR (0.48) ALDH1A1SMN1; SMN2OPRM1LMNATSHR
SCHEMBL1685177 0.82 SPHK1 (0.40) ALDH1A1SMN1; SMN2OPRM1LMNATSHR
SCHEMBL25224640 0.82 SPHK1 (0.45) ALDH1A1SMN1; SMN2OPRM1LMNATSHR
SCHEMBL6948738 0.82 TSHR (0.40) ALDH1A1TSHR
SCHEMBL811727 0.81 SMN1; SMN2 (0.55) ALDH1A1SMN1; SMN2OPRM1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133232-B2 Fused pentacyclic polyethers UNIVERSITY OF NORTH CAROLINA AT WILMINGTON (US) 2015-09-15 US disclosed
US-20140107060-A1 Fused Pentacyclic Polyethers UNIVERSITY OF NORTH CAROLINA AT WILMINGTON (US) 2014-04-17 US disclosed
US-8632792-B2 Cooling sensation agent composition and sensory stimulation agent composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-01-21 US disclosed
US-20130131169-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-05-23 US disclosed
US-8377458-B2 Cooling sensation agent composition, sensory stimulation agent composition and use of the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-02-19 US disclosed
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-05-19 US disclosed
US-20110081393-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TAKASAGO INTERNATIONAL CORPORATION 2011-04-07 US disclosed
CN-101185904-B Selectivity liquid phase hydrogenation catalyst and preparation method and use thereof UNIV JIANGSU POLYTECHNIC 2011-01-19 CN disclosed
WO-2009123355-A2 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-08 WO disclosed
CN-101185904-A Selectivity liquid phase hydrogenation catalyst and preparation method and use thereof UNIV JIANGSU POLYTECHNIC (CN) 2008-05-28 CN disclosed
EP-0942943-B1 METHOD OF PREPARING SMALL PARTICLE DISPERSIONS KIMBERLY CLARK CO (US) 2007-04-04 EP disclosed
US-6743525-B2 ELECTROLUMINESCENT DEVICE KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2004-06-01 US disclosed
EP-0942943-A1 METHOD OF PREPARING SMALL PARTICLE DISPERSIONS KIMBERLY-CLARK WORLDWIDE, INC. (US) 1999-09-22 EP disclosed
US-5800866-A MIXING SURFACTANT, PARTICLES AND NONAQUEOUS SOLVENT KIMBERLY-CLARK WORLDWIDE, INC. (US) 1998-09-01 US disclosed
WO-1998024833-A1 METHOD OF PREPARING SMALL PARTICLE DISPERSIONS KIMBERLY-CLARK WORLDWIDE, INC. (US) 1998-06-11 WO 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-20140107060-A1 Fused Pentacyclic Polyethers MUC1, CFTR, CYSLTR1 ALDH1A1 129/4885SMN1; SMN2 4232/4885OPRM1 167/4885
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TRPA1, HRH1, HRH2 ALDH1A1 520/4885SMN1; SMN2 2144/4885OPRM1 69/4885
US-20110081393-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TRPA1, TRPV1, TRPM4 ALDH1A1 685/4885SMN1; SMN2 2797/4885OPRM1 493/4885
US-20130131169-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TRPA1, TRPV1, TRPM4 ALDH1A1 685/4885SMN1; SMN2 2797/4885OPRM1 493/4885

“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.