SCHEMBL3382989

SCHEMBL3382989

C=C(OC(C)=O)c1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
LMNA P02545 3/20 0.48
CES2 O00748 3/20 0.48
CES1 P23141 3/20 0.48
TDP1 Q9NUW8 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
PKM P14618 2/20 0.43
HTT P42858 2/20 0.43
ATM Q13315 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HPGD P15428 1/20 0.43
NLRP1 Q9C000 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.43
NTSR1 P30989 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL14775220 0.85 ALDH1A1 (0.50) ALDH1A1LMNACES2CES1TDP1
SCHEMBL757521 0.84 ALDH1A1 (0.46) ALDH1A1LMNACES2CES1TDP1
SCHEMBL13777831 0.84 CES2 (0.42) ALDH1A1LMNACES2CES1SMN1; SMN2
SCHEMBL4209048 0.83 TDP1 (0.57) ALDH1A1LMNACES2CES1TDP1
SCHEMBL14775222 0.83 ALDH1A1 (0.52) ALDH1A1LMNACES2CES1TDP1
SCHEMBL9970923 0.83 ALDH1A1 (0.41) ALDH1A1LMNACES2CES1TDP1
SCHEMBL8760128 0.82 CES2 (0.46) ALDH1A1LMNACES2CES1SMN1; SMN2
SCHEMBL280538 0.81 ELANE (0.47) ALDH1A1LMNACES2CES1TDP1
SCHEMBL13777829 0.81 CYP2A6 (0.43) ALDH1A1LMNACES2CES1TDP1
SCHEMBL3385266 0.80 MAPT (0.61) LMNACES2CES1NPSR1HPGD

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
EP-1329497-B1 Utilization of unsaturated esters as perfuming ingredients FIRMENICH & CIE (CH) 2010-12-01 EP claimed
US-20030144173-A1 Utilization of unsaturated esters as perfuming ingredients FIRMENICH SA (CH) 2003-07-31 US claimed
EP-1329497-A2 Utilization of unsaturated esters as perfuming ingredients FIRMENICH SA (CH) 2003-07-23 EP claimed

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-20030144173-A1 Utilization of unsaturated esters as perfuming ingredients CPT1A, FASN, FFAR3 ALDH1A1 1192/4885LMNA 3696/4885CES2 1087/4885

“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.