SCHEMBL234642

SCHEMBL234642

CCCCCC(C)C(C)CCO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.52
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TP53 P04637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.46
CA1 P00915 2/20 0.43
SPHK1 Q9NYA1 2/20 0.43
CYP2D6 P10635 2/20 0.40
GMNN O75496 1/20 0.40
POLB P06746 1/20 0.40
THPO P40225 1/20 0.40
MTOR P42345 1/20 0.40
BLM P54132 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL1658716 0.92 ALDH1A1 (0.45) OPRM1LMNASMN1; SMN2TP53ALDH1A1
SCHEMBL811727 0.90 SMN1; SMN2 (0.55) OPRM1LMNASMN1; SMN2TP53ALDH1A1
SCHEMBL10416799 0.87 LMNA (0.57) OPRM1LMNASMN1; SMN2TP53ALDH1A1
SCHEMBL13858888 0.86 OPRM1 (0.58) OPRM1LMNATP53TSHRCA1
SCHEMBL1022237 0.84 LMNA (0.54) OPRM1LMNASMN1; SMN2TP53ALDH1A1
SCHEMBL6003917 0.83 SMN1; SMN2 (0.38) OPRM1LMNASMN1; SMN2TP53ALDH1A1
SCHEMBL30018032 0.83 SPHK1 (0.48) OPRM1LMNASMN1; SMN2TP53ALDH1A1
SCHEMBL13817351 0.83 SPHK1 (0.48) OPRM1LMNASMN1; SMN2TP53ALDH1A1
SCHEMBL13858988 0.83 OPRM1 (0.55) OPRM1LMNATSHRSPHK1FDPS
SCHEMBL11480610 0.83 OPRM1 (0.55) OPRM1LMNATSHRSPHK1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2589058-A1 PHOTOELECTRIC CONVERSION DEVICE COMPRISING HYDROXAMIC ACID DERIVATIVE OR SALT THEREOF AS ADDITIVE AND PROCESS FOR PRODUCING SAME BASF SE (DE) 2013-05-08 EP 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-20120122810-A1 Fused Pentacyclic Polyethers UNIVERSITY OF NORTH CAROLINA AT WILMINGTON 2012-05-17 US disclosed
WO-2012001628-A1 PHOTOELECTRIC CONVERSION DEVICE COMPRISING HYDROXAMIC ACID DERIVATIVE OR SALT THEREOF AS ADDITIVE AND PROCESS FOR PRODUCING SAME BASF SE (DE) 2012-01-05 WO disclosed
US-20120000533-A1 PHOTOELECTRIC CONVERSION DEVICE COMPRISING HYDROXAMIC ACID OR A SALT THEREOF AS ADDITIVE AND PROCESS FOR PRODUCING SAME BASF SE (DE) 2012-01-05 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
US-20100099643-A1 Fused Pentacyclic Polyethers UNIVERSITY OF NORTH CAROLINA AT WILMINGTON 2010-04-22 US disclosed
US-7638500-B2 Fused pentacyclic polyethers UNIVERSITY OF NORTH CAROLINA AT WILMINGTON (US) 2009-12-29 US disclosed
WO-2009123355-A2 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-08 WO disclosed
US-20070179116-A1 Fused Pentacyclic Polyethers UNIVERSITY OF NORTH CAROLINA AT WILMINGTON 2007-08-02 US disclosed
US-7202271-B2 Fused pentacyclic polyethers UNIVERSITY OF NORTH CAROLINA (US) 2007-04-10 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 (6 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-20070179116-A1 Fused Pentacyclic Polyethers MUC1, CFTR, CYSLTR1 OPRM1 167/4885LMNA 4493/4885SMN1; SMN2 4232/4885
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TRPA1, HRH1, HRH2 OPRM1 69/4885LMNA 1708/4885SMN1; SMN2 2144/4885
US-20100099643-A1 Fused Pentacyclic Polyethers MUC1, CFTR, CYSLTR1 OPRM1 167/4885LMNA 4493/4885SMN1; SMN2 4232/4885
US-20110081393-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TRPA1, TRPV1, TRPM4 OPRM1 493/4885LMNA 1727/4885SMN1; SMN2 2797/4885
US-20130131169-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TRPA1, TRPV1, TRPM4 OPRM1 493/4885LMNA 1727/4885SMN1; SMN2 2797/4885
US-20120122810-A1 Fused Pentacyclic Polyethers MUC1, CFTR, CYSLTR1 OPRM1 167/4885LMNA 4493/4885SMN1; SMN2 4232/4885

“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.