SCHEMBL667322

SCHEMBL667322

CC=CCC(C(=O)O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.43
CYP2D6 P10635 1/20 0.42
SRC P12931 1/20 0.42
POLB P06746 1/20 0.41
LMNA P02545 3/20 0.41
MAPK1 P28482 1/20 0.41
EPHX1 P07099 1/20 0.41
HSD17B10 Q99714 1/20 0.40
GRIK1 P39086 2/20 0.40
GRIK2 Q13002 2/20 0.40
UBE2N P61088 1/20 0.40

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
SCHEMBL11071970 0.90 CYP2C19 (0.56) CYP2C19SMN1; SMN2CYP2D6SRCPOLB
Xenyhexenic Acid SCHEMBL5158399 0.90 CYP2C19 (0.51) CYP2C19SMN1; SMN2GRIK1GRIK2
Xenyhexenic Acid SCHEMBL2734602 0.90 CYP2C19 (0.51) CYP2C19SMN1; SMN2GRIK1GRIK2
SCHEMBL10886683 0.87 CYP2C19 (0.47) CYP2C19CYP2D6SRCPOLBLMNA
SCHEMBL10886677 0.87 CYP2C19 (0.47) CYP2C19CYP2D6SRCPOLBLMNA
SCHEMBL6751630 0.86 CYP2C19 (0.47) CYP2C19
SCHEMBL9577467 0.86 CYP2C19 (0.46) CYP2C19SMN1; SMN2CYP2D6SRCPOLB
SCHEMBL9577472 0.86 CYP2C19 (0.46) CYP2C19SMN1; SMN2CYP2D6SRCPOLB
SCHEMBL10886154 0.84 CYP2C19 (0.45) CYP2C19SMN1; SMN2POLBLMNAEPHX1
SCHEMBL10886147 0.84 CYP2C19 (0.45) CYP2C19SMN1; SMN2POLBLMNAEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2437718-B1 PHENOL ESTER AS PERFUMING INGREDIENT FIRMENICH & CIE (CH) 2013-03-27 EP claimed
US-20120045408-A1 PHENOL ESTER AS PERFUMING INGREDIENT FIRMENICH SA (CH) 2012-02-23 US claimed
US-8648032-B2 Phenol ester as perfuming ingredient FIRMENICH SA (CH) 2014-02-11 US disclosed
US-20120045408-A1 PHENOL ESTER AS PERFUMING INGREDIENT FIRMENICH SA (CH) 2012-02-23 US disclosed
WO-1995011880-A1 SUBSTITUTED AMIDES AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1995-05-04 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-20120045408-A1 PHENOL ESTER AS PERFUMING INGREDIENT HPD, CYP2E1, CYP2B6 CYP2C19 11/4885SMN1; SMN2 4818/4885CYP2D6 8/4885

“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.