SCHEMBL3992170

SCHEMBL3992170

CC(=O)/C(C)=C/C1=C(C)C(C)(C)CC1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.32
RARG P13631 2/20 0.32
RARA P10276 1/20 0.32
RXRA P19793 1/20 0.32
CYP1A2 P05177 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
SCHEMBL3992176 1.00 RARB (0.32) RARBRARGRARARXRACYP1A2
SCHEMBL3995271 0.73
SCHEMBL1040060 0.71
SCHEMBL9840299 0.70 MAPT (0.51) RARBRARGRARARXRACYP1A2
SCHEMBL9840296 0.70 MAPT (0.51) RARBRARGRARARXRACYP1A2
SCHEMBL1472108 0.68 CYP1A2 (0.57) RARBRARGRARARXRACYP1A2
SCHEMBL3307322 0.68 CYP1A2 (0.57) RARBRARGRARARXRACYP1A2
SCHEMBL1472109 0.68 CYP1A2 (0.57) RARBRARGRARARXRACYP1A2
SCHEMBL9240438 0.67
SCHEMBL28956424 0.64 CYP1A2 (0.45) RARBRARGRARARXRACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298950-A1 CYCLOPENTANE/CYCLOPENTENE ALDEHYDE OR KETONE DERIVATIVES AND THEIR USE AS ODORANTS GIVAUDAN SA (CH) 2009-12-03 US claimed
EP-2063964-A1 CYCLOPENTANE/CYCLOPENTENE ALDEHYDE OR KETONE DERIVATIVES AND THEIR USE AS ODORANTS Givaudan SA (CH) 2009-06-03 EP claimed
WO-2008017183-A1 CYCLOPENTANE/CYCLOPENTENE ALDEHYDE OR KETONE DERIVATIVES AND THEIR USE AS ODORANTS GIVAUDAN SA (CH) 2008-02-14 WO claimed
US-20090298950-A1 CYCLOPENTANE/CYCLOPENTENE ALDEHYDE OR KETONE DERIVATIVES AND THEIR USE AS ODORANTS GIVAUDAN SA (CH) 2009-12-03 US disclosed
EP-2063964-A1 CYCLOPENTANE/CYCLOPENTENE ALDEHYDE OR KETONE DERIVATIVES AND THEIR USE AS ODORANTS Givaudan SA (CH) 2009-06-03 EP disclosed
WO-2008017183-A1 CYCLOPENTANE/CYCLOPENTENE ALDEHYDE OR KETONE DERIVATIVES AND THEIR USE AS ODORANTS GIVAUDAN SA (CH) 2008-02-14 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-20090298950-A1 CYCLOPENTANE/CYCLOPENTENE ALDEHYDE OR KETONE DERIVATIVES AND THEIR USE AS ODORANTS ALDH5A1, ALDH1A1, CBR3 RARB 505/4885RARG 820/4885RARA 498/4885

“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.