SCHEMBL1659293

SCHEMBL1659293

CC1=C(O)C(C)(C)CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
ALDH1A1 P00352 10/20 0.40
PTGS1 P23219 4/20 0.40
LMNA P02545 2/20 0.40
DRD3 P35462 2/20 0.40
SLCO1B3 Q9NPD5 1/20 0.40
SLCO1B1 Q9Y6L6 1/20 0.40
HAO1 Q9UJM8 1/20 0.38
CYP3A4 P08684 5/20 0.36
APP P05067 4/20 0.36
SNCA P37840 4/20 0.36
ALOX15 P16050 3/20 0.36
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NR2E1 Q9Y466 1/20 0.36
MAPT P10636 7/20 0.34
RXRA P19793 5/20 0.34
RARA P10276 5/20 0.34
RARB P10826 5/20 0.34

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
SCHEMBL8531669 0.77 GRIK1 (0.33) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL4495310 0.76 CYP1A2 (0.44) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL19167425 0.70 CYP1A2 (0.40) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL4678663 0.70 CYP1A2 (0.40) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL1242169 0.70 CYP1A2 (0.36) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL4666701 0.70 ALDH1A1 (0.44) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL18229234 0.70 CYP1A2 (0.41) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL8034537 0.70 CYP1A2 (0.49) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL11656456 0.69 CYP1A2 (0.40) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL1782075 0.69 CYP1A2 (0.47) CYP1A2ALDH1A1PTGS1LMNADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1075533-B1 SMALL MOLECULE ANTICANCER COMPOUNDS AND RELATED PRODUCTION PROCESS YANG ZHENHUA (US) 2014-12-31 EP 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
WO-2009123355-A2 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-08 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 (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-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TRPA1, HRH1, HRH2 CYP1A2 856/4885ALDH1A1 520/4885PTGS1 593/4885
US-20110081393-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TRPA1, TRPV1, TRPM4 CYP1A2 2078/4885ALDH1A1 685/4885PTGS1 1876/4885
US-20130131169-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TRPA1, TRPV1, TRPM4 CYP1A2 2078/4885ALDH1A1 685/4885PTGS1 1876/4885

“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.