SCHEMBL2318477

SCHEMBL2318477

C=C(C)C(c1ccccc1)C(C)C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.45
HPGD P15428 1/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KMT2A Q03164 1/20 0.42
TRPA1 O75762 1/20 0.39
MAPT P10636 1/20 0.37
XBP1 P17861 1/20 0.37
ATM Q13315 1/20 0.37
ADRA2A P08913 1/20 0.36
ADRA2C P18825 1/20 0.36
HIF1A Q16665 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NOS2 P35228 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
CYP3A4 P08684 1/20 0.36
SRC P12931 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL2319916 0.85 STAT3 (0.40) HPGDLMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL9636834 0.81 CYP2D6 (0.44) CYP2D6HPGDLMNAALDH1A1SMN1; SMN2
SCHEMBL29628639 0.79 CYP2D6 (0.67) CYP2D6HPGDLMNAALDH1A1SMN1; SMN2
SCHEMBL27820977 0.79 BACE1 (0.43) SMN1; SMN2KDM4ENOS2
SCHEMBL3976487 0.74 HPGD (0.50) CYP2D6HPGDLMNAALDH1A1SMN1; SMN2
SCHEMBL29628771 0.73 KMT2A (0.75) CYP2D6LMNAALDH1A1KMT2AMAPT
SCHEMBL901760 0.72 KDM4E (0.56) CYP2D6HPGDLMNAALDH1A1NPSR1
SCHEMBL13810585 0.72 KDM4E (0.56) CYP2D6HPGDLMNAALDH1A1NPSR1
SCHEMBL13797891 0.72 KDM4E (0.56) CYP2D6HPGDLMNAALDH1A1NPSR1
SCHEMBL4007711 0.72 KDM4E (0.56) CYP2D6HPGDLMNAALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102202740-A Perfuming ingredients of the floral and/or anisic type FIRMENICH & CIE 2011-09-28 CN 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
CN-102202740-B Perfuming ingredients of the floral and/or anisic type FIRMENICH & CIE 2014-03-26 CN disclosed
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-8268895-B2 Perfuming ingredients of the floral and/or anis type FIRMENICH SA (CH) 2012-09-18 US disclosed
US-8268895-B2 Perfuming ingredients of the floral and/or anis type FIRMENICH SA (CH) 2012-09-18 US disclosed
CN-102202740-A Perfuming ingredients of the floral and/or anisic type FIRMENICH & CIE 2011-09-28 CN disclosed
US-20110229426-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH SA (CH) 2011-09-22 US disclosed
US-20110229426-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH SA (CH) 2011-09-22 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 CYP2D6 377/4885HPGD 1312/4885LMNA 4253/4885

“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.