SCHEMBL3385266

SCHEMBL3385266

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
CES2 O00748 2/20 0.55
CES1 P23141 2/20 0.55
CA1 P00915 6/20 0.53
CA2 P00918 6/20 0.53
PARP10 Q53GL7 2/20 0.52
PARP1 P09874 1/20 0.52
PARP2 Q9UGN5 1/20 0.52
PARP4 Q9UKK3 1/20 0.52
PLK1 P53350 1/20 0.48
GSK3B P49841 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47

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
SCHEMBL756485 0.86 NR1I2 (0.56) MAPTCES2CES1CA1CA2
SCHEMBL4196144 0.85 CA1 (0.62) MAPTCES2CES1CA1CA2
SCHEMBL3382989 0.80 ALDH1A1 (0.48) MAPTCES2CES1GSK3BMEN1
SCHEMBL4998485 0.80 CA1 (0.67) MAPTCES2CES1CA1CA2
SCHEMBL5082856 0.79 CES2 (0.61) MAPTCES2CES1CA1CA2
SCHEMBL8760128 0.78 CES2 (0.46) MAPTCES2CES1CA1CA2
SCHEMBL28586063 0.78 CA1 (0.64) MAPTCES2CES1CA1CA2
SCHEMBL280538 0.78 ELANE (0.47) MAPTCES2CES1LMNANPSR1
SCHEMBL10872940 0.77 CA1 (0.56) MAPTCES2CES1CA1CA2
SCHEMBL16220971 0.77 CA1 (0.62) MAPTCES2CES1CA1CA2

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 8 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-7129206-B2 Utilization of unsaturated esters as perfuming ingredients FIRMENICH SA (CH) 2006-10-31 US 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
EP-1329497-B1 Utilization of unsaturated esters as perfuming ingredients FIRMENICH & CIE (CH) 2010-12-01 EP disclosed
US-7129206-B2 Utilization of unsaturated esters as perfuming ingredients FIRMENICH SA (CH) 2006-10-31 US disclosed
US-20030144173-A1 Utilization of unsaturated esters as perfuming ingredients FIRMENICH SA (CH) 2003-07-31 US disclosed
EP-1329497-A2 Utilization of unsaturated esters as perfuming ingredients FIRMENICH SA (CH) 2003-07-23 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-20030144173-A1 Utilization of unsaturated esters as perfuming ingredients CPT1A, FASN, FFAR3 MAPT 3557/4885CES2 1087/4885CES1 770/4885

“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.