SCHEMBL10067412

SCHEMBL10067412

CCC1=C(C)C(=O)CCC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.38
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
GAA P10253 1/20 0.33
CYP3A4 P08684 1/20 0.32
ESR1 P03372 5/20 0.31
ESR2 Q92731 5/20 0.31

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
SCHEMBL10457502 0.82 TRPA1 (0.40) TRPA1MAPTALOX15CYP3A4ESR1
SCHEMBL11246743 0.81 TRPA1 (0.40) TRPA1MAPTALOX15GAAESR1
SCHEMBL6551203 0.79 ESR2 (0.31) ESR1ESR2
SCHEMBL11152583 0.79 TRPA1 (0.43) TRPA1MAPTALOX15ESR1ESR2
SCHEMBL10258979 0.78 KDM4E (0.32)
SCHEMBL11042712 0.78 TRPA1 (0.39) TRPA1MAPTALOX15ESR1ESR2
SCHEMBL4277388 0.78 CYP3A4 (0.34) MAPTALOX15CYP3A4
SCHEMBL11241178 0.76 TRPA1 (0.37) TRPA1MAPTALOX15
SCHEMBL11256166 0.76 TRPA1 (0.37) TRPA1MAPTALOX15
SCHEMBL13781114 0.76 TRPA1 (0.42) TRPA1MAPTALOX15

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968993-B1 NOVEL POLYUNSATURATED COMPOUNDS, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME FABRE PIERRE DERMO COSMETIQUE (FR) 2012-01-11 EP disclosed
WO-2008118862-A1 CAROTENOID ANALOGS AND DERIVATIVES FOR THE PREVENTION OF PLATELET AGGREGATION CARDAX PHARMACEUTICALS, INC. (US) 2008-10-02 WO disclosed
WO-2008106606-A2 CAROTENOID ANALOGS AND DERIVATIVES IN THE TREATMENT OF PROSTATE CANCER CARDAX PHARMACEUTICALS, INC. (US) 2008-09-04 WO disclosed
US-20070219383-A1 Method for Reducing Alkyne Compuonds BASF AKTIENGESELLSCHAFT (DE) 2007-09-20 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-20070219383-A1 Method for Reducing Alkyne Compuonds C9, C1S, C5 TRPA1 1396/4885MAPT 4742/4885ALOX15 1304/4885

“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.