SCHEMBL2242003

SCHEMBL2242003

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
PTGS2 P35354 3/20 0.40
NR4A2 P43354 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 1/20 0.38
CYP19A1 P11511 2/20 0.37
GAA P10253 1/20 0.36
CYP2C19 P33261 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
AKT1 P31749 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 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
SCHEMBL12345347 1.00 ESR1 (0.41) ESR1PTGS2NR4A2ALDH1A1CES2
SCHEMBL2241999 1.00 ESR1 (0.41) ESR1PTGS2NR4A2ALDH1A1CES2
SCHEMBL2244093 0.83 KMT2A (0.43) ALDH1A1CES2CES1TDP1MAPK1
SCHEMBL2244097 0.83 KMT2A (0.43) ALDH1A1CES2CES1TDP1MAPK1
SCHEMBL2244098 0.83 KMT2A (0.43) ALDH1A1CES2CES1TDP1MAPK1
SCHEMBL2770069 0.81 TRPV1 (0.40) ESR1ALDH1A1MAPK1CYP2C19LMNA
SCHEMBL2770071 0.81 TRPV1 (0.40) ESR1ALDH1A1MAPK1CYP2C19LMNA
SCHEMBL12231430 0.80 CES2 (0.39) ESR1PTGS2NR4A2ALDH1A1CES2
SCHEMBL12231429 0.80 CES2 (0.39) ESR1PTGS2NR4A2ALDH1A1CES2
SCHEMBL2239644 0.80 NR4A2 (0.57) ESR1PTGS2NR4A2ALDH1A1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140314699-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH SA (CH) 2014-10-23 US claimed
US-8815792-B2 Perfuming ingredients of the floral and/or anis type FIRMENICH SA (CH) 2014-08-26 US claimed
CN-102197122-B Perfuming ingredients of the floral and/or anis type FIRMENICH & CIE 2013-03-27 CN claimed
EP-2352809-B1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH & CIE (CH) 2012-09-19 EP claimed
CN-102197122-A Perfuming ingredients of the floral and/or anis type FIRMENICH & CIE 2011-09-21 CN claimed
US-20110200546-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH SA (CH) 2011-08-18 US claimed
EP-2352809-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE Firmenich S.A. (CH) 2011-08-10 EP claimed
WO-2010052635-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH SA (CH) 2010-05-14 WO claimed
US-9487734-B2 Perfuming ingredients of the floral and/or anis type FIRMENICH SA (CH) 2016-11-08 US disclosed
US-20140314699-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH SA (CH) 2014-10-23 US disclosed
US-8815792-B2 Perfuming ingredients of the floral and/or anis type FIRMENICH SA (CH) 2014-08-26 US disclosed
CN-102197122-B Perfuming ingredients of the floral and/or anis type FIRMENICH & CIE 2013-03-27 CN disclosed
EP-2352809-B1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH & CIE (CH) 2012-09-19 EP disclosed
CN-102197122-A Perfuming ingredients of the floral and/or anis type FIRMENICH & CIE 2011-09-21 CN disclosed
US-20110200546-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH SA (CH) 2011-08-18 US disclosed
EP-2352809-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE Firmenich S.A. (CH) 2011-08-10 EP disclosed
WO-2010052635-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 (2 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-20110200546-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE COXFA4, CCR4, AFF4 ESR1 3249/4885PTGS2 1328/4885NR4A2 482/4885
US-20140314699-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE COXFA4, CCR4, AFF4 ESR1 3249/4885PTGS2 1328/4885NR4A2 482/4885

“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.