SCHEMBL1657992

SCHEMBL1657992

CC(C)(C)CCCCCCCO

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 1/20 0.45
CYP4F2 P78329 2/20 0.45
CYP4A11 Q02928 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 2/20 0.35
FFAR1 O14842 2/20 0.35
CPT2 P23786 1/20 0.35
GPR84 Q9NQS5 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ARG2 P78540 1/20 0.30
ACLY P53396 1/20 0.30

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
SCHEMBL29735321 1.00 ALDH1A1 (0.45) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL30102628 1.00 ALDH1A1 (0.45) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL4108517 1.00 ALDH1A1 (0.45) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL1657133 1.00 ALDH1A1 (0.45) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL14809124 1.00 ALDH1A1 (0.45) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL30102637 1.00 ALDH1A1 (0.45) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL1626845 1.00 ALDH1A1 (0.45) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL10136292 1.00 ALDH1A1 (0.45) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL16590622 1.00 ALDH1A1 (0.45) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL27706654 1.00 ALDH1A1 (0.45) ALDH1A1LMNAHSD17B10MEN1KMT2A

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 8 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
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
EP-1575927-A2 METHOD FOR THE PRODUCTION OF ALKOXYCARBONYLAMINO TRIAZINES BASF AKTIENGESELLSCHAFT (DE) 2005-09-21 EP disclosed
WO-2004054990-A2 METHOD FOR THE PRODUCTION OF ALKOXYCARBONYLAMINO TRIAZINES BASF AKTIENGESELLSCHAFT (DE) 2004-07-01 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 ALDH1A1 520/4885LMNA 1708/4885HSD17B10 2048/4885
US-20110081393-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TRPA1, TRPV1, TRPM4 ALDH1A1 685/4885LMNA 1727/4885HSD17B10 880/4885
US-20130131169-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TRPA1, TRPV1, TRPM4 ALDH1A1 685/4885LMNA 1727/4885HSD17B10 880/4885

“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.