SCHEMBL10000490

SCHEMBL10000490

C/C=C/CCC(=O)Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
AKT1 P31749 1/20 0.47
KMT2A Q03164 5/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
HSD17B10 Q99714 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.44
CYP19A1 P11511 1/20 0.44
ELANE P08246 1/20 0.44
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.38
BCL9 O00512 1/20 0.38
CTNNB1 P35222 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL10959282 1.00 PRSS1 (0.49) PRSS1PRSS2PRSS3AKT1KMT2A
SCHEMBL10953513 0.90 PRSS1 (0.54) PRSS1PRSS2PRSS3KMT2AALDH1A1
SCHEMBL10953509 0.90 PRSS1 (0.54) PRSS1PRSS2PRSS3KMT2AALDH1A1
SCHEMBL7692366 0.87 KMT2A (0.48) PRSS1PRSS2PRSS3AKT1KMT2A
SCHEMBL10783888 0.86 ALDH1A1 (0.49) PRSS1PRSS2PRSS3AKT1KMT2A
SCHEMBL5150201 0.86 AKT1 (0.45) PRSS1PRSS2PRSS3AKT1KMT2A
SCHEMBL10783884 0.86 ALDH1A1 (0.49) PRSS1PRSS2PRSS3AKT1KMT2A
SCHEMBL4961740 0.86 AKT1 (0.45) PRSS1PRSS2PRSS3AKT1KMT2A
SCHEMBL20563855 0.84 AKT1 (0.50) PRSS1PRSS2PRSS3AKT1KMT2A
SCHEMBL10701813 0.84 ELANE (0.45) PRSS1PRSS2PRSS3AKT1KMT2A

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-8648032-B2 Phenol ester as perfuming ingredient FIRMENICH SA (CH) 2014-02-11 US disclosed
US-8648032-B2 Phenol ester as perfuming ingredient FIRMENICH SA (CH) 2014-02-11 US disclosed
EP-2437718-B1 PHENOL ESTER AS PERFUMING INGREDIENT FIRMENICH & CIE (CH) 2013-03-27 EP disclosed
US-20120045408-A1 PHENOL ESTER AS PERFUMING INGREDIENT FIRMENICH SA (CH) 2012-02-23 US disclosed
US-20120045408-A1 PHENOL ESTER AS PERFUMING INGREDIENT FIRMENICH SA (CH) 2012-02-23 US disclosed
WO-2010140076-A1 PHENOL ESTER AS PERFUMING INGREDIENT FIRMENICH SA (CH) 2010-12-09 WO disclosed
US-4537724-A Alkanoyloxybenzenesulfonate salt production ETHYL CORPORATION (US) 1985-08-27 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-20120045408-A1 PHENOL ESTER AS PERFUMING INGREDIENT HPD, CYP2E1, CYP2B6 PRSS1 2424/4885PRSS2 2152/4885PRSS3 2223/4885

“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.