SCHEMBL2319916

SCHEMBL2319916

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ACHE P22303 1/20 0.36
ALOX5 P09917 1/20 0.36
CYP2A6 P11509 1/20 0.34
LMNA P02545 3/20 0.34
CHRNA7 P36544 1/20 0.32
KEAP1 Q14145 3/20 0.32
NFE2L2 Q16236 3/20 0.32
ALDH1A1 P00352 4/20 0.32
NPSR1 Q6W5P4 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
PKM P14618 2/20 0.31
HTT P42858 2/20 0.31
ATM Q13315 2/20 0.31
TYR P14679 1/20 0.31

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
SCHEMBL2318477 0.85 CYP2D6 (0.45) CYP3A4LMNAALDH1A1NPSR1SMN1; SMN2
SCHEMBL27820977 0.80 BACE1 (0.43) SMN1; SMN2
SCHEMBL9717427 0.69 ALDH1A1 (0.38) STAT3ACHEALOX5CYP2A6LMNA
SCHEMBL2319893 0.69 STAT3 (0.39) STAT3CYP3A4CYP2C9CYP2C19ACHE
SCHEMBL4831627 0.69 CYP2A6 (0.44) STAT3ACHEALOX5CYP2A6LMNA
SCHEMBL872965 0.69 CYP2A6 (0.44) STAT3ACHEALOX5CYP2A6LMNA
SCHEMBL1532439 0.69 CYP2A6 (0.44) STAT3ACHEALOX5CYP2A6LMNA
SCHEMBL20223144 0.68 STAT3 (0.44) STAT3ACHEALOX5LMNACHRNA7
SCHEMBL21439231 0.68 CHRNA7 (0.47) STAT3ACHEALOX5CYP2A6LMNA
P-Cymene SCHEMBL27525277 0.67 CYP2C9 (0.50) STAT3CYP2C9ACHEALOX5LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2352560-B1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH & CIE (CH) 2014-01-08 EP claimed
US-8268895-B2 Perfuming ingredients of the floral and/or anis type FIRMENICH SA (CH) 2012-09-18 US claimed
US-20110229426-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH SA (CH) 2011-09-22 US claimed
EP-2352560-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE Firmenich S.A. (CH) 2011-08-10 EP claimed
WO-2010052636-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH SA (CH) 2010-05-14 WO claimed
EP-2352560-B1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH & CIE (CH) 2014-01-08 EP disclosed
US-8268895-B2 Perfuming ingredients of the floral and/or anis type FIRMENICH SA (CH) 2012-09-18 US disclosed
US-20110229426-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH SA (CH) 2011-09-22 US disclosed
EP-2352560-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE Firmenich S.A. (CH) 2011-08-10 EP disclosed
WO-2010052636-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH SA (CH) 2010-05-14 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-20110229426-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE OPRM1, CCR4, RCOR1 STAT3 4328/4885CYP3A4 83/4885CYP2C9 1702/4885

“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.