SCHEMBL11908074

SCHEMBL11908074

CCC(=Cc1ccc(C)cc1)CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.38
TRPA1 O75762 2/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.36
MDM2 Q00987 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA1 P00915 1/20 0.36
PTGS2 P35354 2/20 0.36
NFE2L2 Q16236 1/20 0.34
ALOX5 P09917 1/20 0.34
PTGS1 P23219 1/20 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
SCHEMBL1758410 1.00 CYP2A6 (0.38) CYP2A6TRPA1ESR1ESR2RAB9A
SCHEMBL11830929 0.82 TRPA1 (0.43) TRPA1ESR1ESR2MAPTPTGS2
SCHEMBL11830924 0.82 TRPA1 (0.43) TRPA1ESR1ESR2MAPTPTGS2
SCHEMBL10949821 0.81 TRPA1 (0.39) CYP2A6TRPA1RAB9ANPC1SMN1; SMN2
SCHEMBL10949820 0.81 TRPA1 (0.39) CYP2A6TRPA1RAB9ANPC1SMN1; SMN2
SCHEMBL28472907 0.81 TRPA1 (0.52) TRPA1ESR1TDP1RECQLLMNA
SCHEMBL28293058 0.81 TRPA1 (0.52) TRPA1ESR1TDP1RECQLLMNA
SCHEMBL29038373 0.80 LMNA (0.41) CYP2A6TRPA1RAB9ANPC1SMN1; SMN2
SCHEMBL1758385 0.79 ALDH1A1 (0.52) CYP2A6TRPA1RAB9AMAPTKDM4E
SCHEMBL10504488 0.79 ALDH1A1 (0.52) CYP2A6TRPA1RAB9AMAPTKDM4E

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
EP-2496674-B1 ODORANTS WITH ANISIC NOTES FIRMENICH & CIE (CH) 2013-06-26 EP disclosed
US-8410042-B2 Odorants with anisic notes FIRMENICH SA (CH) 2013-04-02 US disclosed
US-20120208741-A1 ODORANTS WITH ANISIC NOTES FIRMENICH SA (CH) 2012-08-16 US 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-20120208741-A1 ODORANTS WITH ANISIC NOTES C1S, ACMSD, CRAT CYP2A6 1094/4885TRPA1 9/4885ESR1 3437/4885

“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.