SCHEMBL4090675

SCHEMBL4090675

CCC(C)C(=O)Oc1ccc(C=O)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
TSHR P16473 1/20 0.57
FDPS P14324 1/20 0.54
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
PSMB5 P28074 1/20 0.51
FGFR1 P11362 2/20 0.50
AOX1 Q06278 1/20 0.49
TRIM24 O15164 1/20 0.49
HPGD P15428 1/20 0.49
ALDH5A1 P51649 1/20 0.49
ABAT P80404 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TRIM33 Q9UPN9 1/20 0.49
POLB P06746 1/20 0.48

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
SCHEMBL4080559 0.89 ALDH1A1 (0.55) ALDH1A1TSHRFDPSKDM4EMAPT
SCHEMBL229580 0.85 FGFR1 (0.65) ALDH1A1TSHRFDPSKDM4EMAPT
SCHEMBL29473914 0.85 FGFR1 (0.65) ALDH1A1TSHRFDPSKDM4EMAPT
SCHEMBL17629454 0.85 FGFR1 (0.65) ALDH1A1TSHRFDPSKDM4EMAPT
SCHEMBL20435068 0.84 ALDH1A1 (0.62) ALDH1A1TSHRFDPSKDM4EMAPT
SCHEMBL20435069 0.84 ALDH1A1 (0.62) ALDH1A1TSHRFDPSKDM4EMAPT
SCHEMBL3277719 0.84 ALDH1A1 (0.62) ALDH1A1TSHRFDPSKDM4EMAPT
SCHEMBL31053796 0.84 ALDH1A1 (0.62) ALDH1A1TSHRFDPSKDM4EMAPT
SCHEMBL20435062 0.84 ALDH1A1 (0.62) ALDH1A1TSHRFDPSKDM4EMAPT
SCHEMBL28834486 0.83 ALDH1A1 (0.52) ALDH1A1TSHRFDPSKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130177688-A1 Method of Flavoring GIVAUDAN S.A. (CH) 2013-07-11 US disclosed
US-20130177688-A1 Method of Flavoring GIVAUDAN S.A. (CH) 2013-07-11 US disclosed
US-20130177688-A1 Method of Flavoring GIVAUDAN S.A. (CH) 2013-07-11 US disclosed
WO-2009092176-A2 METHOD OF FLAVORING GIVAUDAN SA (CH) 2009-07-30 WO disclosed
US-20090186138-A1 Method of Flavoring GIVAUDAN SA (CH) 2009-07-23 US disclosed
US-20090186138-A1 Method of Flavoring GIVAUDAN SA (CH) 2009-07-23 US disclosed
US-20090186138-A1 Method of Flavoring GIVAUDAN SA (CH) 2009-07-23 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-20090186138-A1 Method of Flavoring TAS2R5, TAS2R50, TAS2R10 ALDH1A1 967/4885TSHR 4345/4885FDPS 174/4885

“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.