SCHEMBL243765

SCHEMBL243765

CCC(=C(C)C(=O)O)C1C(C)=CCCC1(C)CC

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL243763 1.00 ALDH1A1 (0.40) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL244551 0.86 ALDH1A1 (0.48) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL247080 0.86 ALDH1A1 (0.48) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL11450195 0.76 ALDH1A1 (0.41) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL11450196 0.76 ALDH1A1 (0.41) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL11448148 0.76 ALDH1A1 (0.41) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL11450197 0.76 ALDH1A1 (0.41) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL11455645 0.74 ALDH1A1 (0.45) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL11455647 0.74 ALDH1A1 (0.45) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL11455646 0.74 ALDH1A1 (0.45) ALDH1A1CYP3A4ALOX15TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004154-A1 CARBOXYLIC DERIVATIVES AS VIOLET AND/OR WOODY ODORANT FIRMENICH SA (CH) 2012-01-05 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-20120004154-A1 CARBOXYLIC DERIVATIVES AS VIOLET AND/OR WOODY ODORANT CBR3, CBR1, CYP3A5 ALDH1A1 786/4885CYP3A4 12/4885ALOX15 526/4885

“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.