SCHEMBL1783206

SCHEMBL1783206

CCCCC(C)(C)CCCC=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
FAAH O00519 2/20 0.48
TRPV1 Q8NER1 2/20 0.48
ALDH1A1 P00352 3/20 0.43
HIF1A Q16665 1/20 0.41
ADH1B P00325 2/20 0.36
ADH1C P00326 2/20 0.36
ADH1A P07327 2/20 0.36
ADH7 P40394 2/20 0.36
EPHX1 P07099 1/20 0.34
ADH4 P08319 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
FFAR1 O14842 1/20 0.33
CPT2 P23786 1/20 0.33
GMNN O75496 1/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL1784622 0.91 TSHR (0.52) TSHRFAAHTRPV1ALDH1A1HIF1A
SCHEMBL1784663 0.91 TSHR (0.52) TSHRFAAHTRPV1ALDH1A1HIF1A
SCHEMBL16940325 0.86 TSHR (0.70) TSHRFAAHTRPV1ALDH1A1HIF1A
SCHEMBL27785813 0.85 TSHR (0.46) TSHRFAAHTRPV1ALDH1A1HIF1A
SCHEMBL1787521 0.84 TSHR (0.52) TSHRFAAHTRPV1ALDH1A1HIF1A
SCHEMBL1783265 0.84 TSHR (0.52) TSHRFAAHTRPV1ALDH1A1HIF1A
SCHEMBL1785190 0.83 TSHR (0.48) TSHRFAAHTRPV1ALDH1A1HIF1A
Pentanal SCHEMBL2444213 0.79
SCHEMBL8897968 0.79 TSHR (0.43) TSHRALDH1A1TDP1FFAR1CPT2
SCHEMBL1410490 0.78 TSHR (0.42) TSHRFAAHTRPV1ALDH1A1ADH1B

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-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
CN-1028427-C Rhizoxin derivatives and their use as antitumor agents SANKYO CO (JP) 1995-05-17 CN disclosed
CN-1040982-A Nitragin (rhizoxin) derivative and as antineoplastic agent SANKYO CO (JP) 1990-04-04 CN 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 TSHR 2479/4885FAAH 94/4885TRPV1 8/4885

“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.