SCHEMBL3147453

SCHEMBL3147453

CCC/C(=C\c1ccc(OC)cc1)C(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.46
MAPT P10636 4/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
THRB P10828 2/20 0.45
F3 P13726 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
APEX1 P27695 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ATM Q13315 1/20 0.44
BACE1 P56817 1/20 0.43
CYP2A6 P11509 1/20 0.43

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
SCHEMBL3147460 1.00 GSK3B (0.46) GSK3BMAPTKDM4EALDH1A1HPGD
SCHEMBL3156208 0.91 ALOX5 (0.46) GSK3BMAPTKDM4EALDH1A1HPGD
SCHEMBL3156218 0.91 ALOX5 (0.46) GSK3BMAPTKDM4EALDH1A1HPGD
SCHEMBL3142281 0.89 CNR1 (0.47) GSK3BMAPTKDM4EALDH1A1HPGD
SCHEMBL3142273 0.89 CNR1 (0.47) GSK3BMAPTKDM4EALDH1A1HPGD
SCHEMBL489474 0.87 ALOX5 (0.48) GSK3BMAPTKDM4EALDH1A1HPGD
SCHEMBL11765557 0.87 ALDH1A1 (0.49) GSK3BMAPTKDM4EALDH1A1HPGD
SCHEMBL11765552 0.87 ALDH1A1 (0.49) GSK3BMAPTKDM4EALDH1A1HPGD
SCHEMBL8834352 0.81 HTT (0.51) GSK3BMAPTKDM4EALDH1A1HPGD
SCHEMBL3146136 0.80 RECQL (0.66) MAPTKDM4EALDH1A1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100111888-A1 Organic Compounds and Compositions Having the Ability to Modulate Fragrance Compositions GIVAUDAN SA (CH) 2010-05-06 US claimed
EP-2152658-A2 ORGANIC COMPOUNDS AND COMPOSITIONS HAVING THE ABILITY TO MODULATE FRAGRANCE COMPOSITIONS Givaudan SA (CH) 2010-02-17 EP claimed
WO-2008116338-A2 ORGANIC COMPOUNDS AND COMPOSITIONS HAVING THE ABILITY TO MODULATE FRAGRANCE COMPOSITIONS GIVAUDAN SA (CH) 2008-10-02 WO claimed
US-20100111888-A1 Organic Compounds and Compositions Having the Ability to Modulate Fragrance Compositions GIVAUDAN SA (CH) 2010-05-06 US disclosed
US-20100111888-A1 Organic Compounds and Compositions Having the Ability to Modulate Fragrance Compositions GIVAUDAN SA (CH) 2010-05-06 US disclosed
US-20100111888-A1 Organic Compounds and Compositions Having the Ability to Modulate Fragrance Compositions GIVAUDAN SA (CH) 2010-05-06 US disclosed
EP-2152658-A2 ORGANIC COMPOUNDS AND COMPOSITIONS HAVING THE ABILITY TO MODULATE FRAGRANCE COMPOSITIONS Givaudan SA (CH) 2010-02-17 EP disclosed
WO-2008116338-A2 ORGANIC COMPOUNDS AND COMPOSITIONS HAVING THE ABILITY TO MODULATE FRAGRANCE COMPOSITIONS GIVAUDAN SA (CH) 2008-10-02 WO disclosed
WO-2008116338-A2 ORGANIC COMPOUNDS AND COMPOSITIONS HAVING THE ABILITY TO MODULATE FRAGRANCE COMPOSITIONS GIVAUDAN SA (CH) 2008-10-02 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-20100111888-A1 Organic Compounds and Compositions Having the Ability to Modulate Fragrance Compositions CYP2A13, CYP1A1, CYP1B1 GSK3B 3824/4885MAPT 4063/4885KDM4E 2252/4885

“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.