SCHEMBL9322668

SCHEMBL9322668

Cc1ccc(C=O)cc1C(C)C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.48
CYP2A6 P11509 3/20 0.43
ALDH1A1 P00352 8/20 0.41
ALDH1A3 P47895 6/20 0.41
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PTGS2 P35354 1/20 0.39
RAB9A P51151 1/20 0.39
AOX1 Q06278 1/20 0.36
TRIM24 O15164 1/20 0.36
HPGD P15428 1/20 0.36
ALDH5A1 P51649 1/20 0.36
ABAT P80404 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
HTT P42858 1/20 0.36
ALDH3A1 P30838 2/20 0.35

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
SCHEMBL8031911 0.83 TYR (0.48) TYRCYP2A6ALDH1A1ALDH1A3TSHR
SCHEMBL9231758 0.83 TYR (0.52) TYRCYP2A6ALDH1A1ALDH1A3TSHR
SCHEMBL16464746 0.80 TYR (0.37) TYRCYP2A6ALDH1A1ALDH1A3TSHR
SCHEMBL3121559 0.80 GPR55 (0.41) TYRCYP2A6ALDH1A1ALDH1A3TSHR
SCHEMBL29818670 0.79 TYR (0.48) TYRCYP2A6ALDH1A1ALDH1A3TSHR
SCHEMBL6015149 0.78 TYR (0.47) TYRCYP2A6ALDH1A1ALDH1A3TSHR
SCHEMBL29956336 0.78 TYR (0.47) TYRCYP2A6ALDH1A1ALDH1A3TSHR
SCHEMBL3429786 0.78 KDM4E (0.57) TYRALDH1A1ALDH1A3TSHRKDM4E
SCHEMBL6015150 0.78 TYR (0.47) TYRCYP2A6ALDH1A1ALDH1A3TSHR
SCHEMBL18488343 0.78 TYR (0.47) TYRCYP2A6ALDH1A1ALDH1A3TSHR

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
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 US disclosed
EP-0409729-B1 Bi-aromatic thioesters, process for their preparation and their use in human or veterinary medicine and in cosmetics CIRD GALDERMA (FR) 1994-01-12 EP disclosed
EP-0409729-A1 Bi-aromatic thioesters, process for their preparation and their use in human or veterinary medicine and in cosmetics CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1991-01-23 EP 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 TYR 2328/4885CYP2A6 3547/4885ALDH1A1 4010/4885

“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.