SCHEMBL1782422

SCHEMBL1782422

CCCCC=C(C)CCC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
EP300 Q09472 1/20 0.41
KDM1A O60341 1/20 0.40
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
CES1 P23141 2/20 0.38
KMT2A Q03164 1/20 0.38
FNTA P49354 3/20 0.38
FNTB P49356 3/20 0.38
LMNA P02545 1/20 0.37
SLC15A2 Q16348 1/20 0.37
CES2 O00748 1/20 0.37
TSHR P16473 1/20 0.37
GRIK1 P39086 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ATM Q13315 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
SCHEMBL1782421 1.00 ALDH1A1 (0.43) ALDH1A1EP300KDM1AF7F3
SCHEMBL8444739 0.92 EP300 (0.52) EP300F7F3KMT2ALMNA
SCHEMBL1781656 0.86 ALDH1A1 (0.48) ALDH1A1KDM1AKMT2AFNTAFNTB
SCHEMBL1781655 0.86 ALDH1A1 (0.48) ALDH1A1KDM1AKMT2AFNTAFNTB
SCHEMBL1783919 0.83 KDM1A (0.47) ALDH1A1KDM1ACES1KMT2AFNTA
SCHEMBL1783917 0.83 KDM1A (0.47) ALDH1A1KDM1ACES1KMT2AFNTA
SCHEMBL15368115 0.82 EP300 (0.50) EP300F7F3KMT2ALMNA
SCHEMBL11885647 0.82 EP300 (0.46) ALDH1A1EP300F7F3CES1
SCHEMBL31181881 0.82 EP300 (0.46) EP300F7F3KMT2ALMNA
SCHEMBL8020473 0.81 ALDH1A1 (0.53) ALDH1A1KDM1AKMT2AFNTAFNTB

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 3 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-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-05-19 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 (1 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 ALDH1A1 520/4885EP300 812/4885KDM1A 2902/4885

“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.