SCHEMBL1658396

SCHEMBL1658396

CCCC/C(C)=C/CCC(C)O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.41
PTPN1 P18031 1/20 0.38
SQLE Q14534 4/20 0.37
KDM4E B2RXH2 1/20 0.36
LSS P48449 1/20 0.36
KMT2A Q03164 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
SCHEMBL1658397 1.00 KDM1A (0.41) KDM1APTPN1SQLEKDM4ELSS
SCHEMBL3376001 0.92 LSS (0.40) KDM1ASQLELSSKMT2A
SCHEMBL3375999 0.92 LSS (0.40) KDM1ASQLELSSKMT2A
SCHEMBL18879321 0.88 PTPN1 (0.47) KDM1APTPN1SQLELSS
SCHEMBL1658549 0.88 KMT2A (0.38) KDM1APTPN1SQLEKDM4EKMT2A
SCHEMBL1658548 0.88 KMT2A (0.38) KDM1APTPN1SQLEKDM4EKMT2A
SCHEMBL1657429 0.84 KDM1A (0.38) KDM1APTPN1KDM4EKMT2A
SCHEMBL1657427 0.84 KDM1A (0.38) KDM1APTPN1KDM4EKMT2A
SCHEMBL8907996 0.84 KDM1A (0.57) KDM1APTPN1SQLEKDM4EKMT2A
SCHEMBL889883 0.84 SQLE (0.55) KDM1APTPN1SQLEKDM4EKMT2A

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 5 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-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 (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-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TRPA1, HRH1, HRH2 KDM1A 2902/4885PTPN1 4528/4885SQLE 1861/4885
US-20110081393-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TRPA1, TRPV1, TRPM4 KDM1A 3332/4885PTPN1 4088/4885SQLE 2909/4885

“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.