SCHEMBL3639610

SCHEMBL3639610

C/C=C/C(=O)C1C(C)=CCCC12CC2

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GSTP1 P09211 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 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
SCHEMBL3639614 1.00 ALDH1A1 (0.39) ALDH1A1CYP3A4ALOX15TDP1GSTP1
SCHEMBL3421241 0.94 ALDH1A1 (0.38) ALDH1A1CYP3A4ALOX15TDP1GSTP1
SCHEMBL3421239 0.94 ALDH1A1 (0.38) ALDH1A1CYP3A4ALOX15TDP1GSTP1
SCHEMBL3643554 0.89 ALDH1A1 (0.37) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL3643551 0.89 ALDH1A1 (0.37) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL11449382 0.83 ALDH1A1 (0.49) ALDH1A1CYP3A4ALOX15TDP1GSTP1
SCHEMBL454167 0.83 ALDH1A1 (0.49) ALDH1A1CYP3A4ALOX15TDP1GSTP1
SCHEMBL18529411 0.83 ALDH1A1 (0.49) ALDH1A1CYP3A4ALOX15TDP1GSTP1
SCHEMBL454166 0.83 ALDH1A1 (0.49) ALDH1A1CYP3A4ALOX15TDP1GSTP1
SCHEMBL18529409 0.83 ALDH1A1 (0.49) ALDH1A1CYP3A4ALOX15TDP1GSTP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167621-B1 ORGANIC COMPOUNDS AS ODORANTS GIVAUDAN SA (CH) 2017-10-11 EP claimed
US-9012391-B2 Organic compounds GIVAUDAN SA (CH) 2015-04-21 US claimed
US-20100292128-A1 Organic Compounds GIVAUDAN SA (CH) 2010-11-18 US claimed
EP-2167621-A1 ORGANIC COMPOUNDS Givaudan SA (CH) 2010-03-31 EP claimed
WO-2008151455-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2008-12-18 WO claimed
EP-2167621-B1 ORGANIC COMPOUNDS AS ODORANTS GIVAUDAN SA (CH) 2017-10-11 EP disclosed
US-9012391-B2 Organic compounds GIVAUDAN SA (CH) 2015-04-21 US disclosed
US-20100292128-A1 Organic Compounds GIVAUDAN SA (CH) 2010-11-18 US disclosed
EP-2167621-A1 ORGANIC COMPOUNDS Givaudan SA (CH) 2010-03-31 EP disclosed
WO-2008151455-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2008-12-18 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-20100292128-A1 Organic Compounds TRPA1, FASN, OR10J3 ALDH1A1 99/4885CYP3A4 105/4885ALOX15 190/4885

“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.