SCHEMBL2244098

SCHEMBL2244098

CC(CCC=O)=C(C)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 6/20 0.39
LMNA P02545 4/20 0.39
TDP1 Q9NUW8 4/20 0.39
HTT P42858 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
PKM P14618 2/20 0.39
ATM Q13315 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 2/20 0.39
NLRP1 Q9C000 1/20 0.39
NTSR1 P30989 1/20 0.39
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
TRPV1 Q8NER1 1/20 0.38
GSK3B P49841 1/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.35
NPC1 O15118 2/20 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
SCHEMBL2244093 1.00 KMT2A (0.43) KMT2AALDH1A1LMNATDP1HTT
SCHEMBL2244097 1.00 KMT2A (0.43) KMT2AALDH1A1LMNATDP1HTT
SCHEMBL12345347 0.83 ESR1 (0.41) KMT2AALDH1A1LMNATDP1CES2
SCHEMBL2242003 0.83 ESR1 (0.41) KMT2AALDH1A1LMNATDP1CES2
SCHEMBL2241999 0.83 ESR1 (0.41) KMT2AALDH1A1LMNATDP1CES2
SCHEMBL2240217 0.79 KMT2A (0.63) KMT2AALDH1A1LMNAHTTNPSR1
SCHEMBL2118360 0.77 KMT2A (0.66) KMT2AALDH1A1LMNATDP1HTT
P-Xylene SCHEMBL29220647 0.72 CYP2A6 (0.52) KMT2AALDH1A1LMNATDP1HTT
SCHEMBL2244115 0.72 ALDH1A1 (0.41) KMT2AALDH1A1LMNATDP1HTT
SCHEMBL2244119 0.72 ALDH1A1 (0.41) KMT2AALDH1A1LMNATDP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815792-B2 Perfuming ingredients of the floral and/or anis type FIRMENICH SA (CH) 2014-08-26 US 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
EP-2352809-B1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH & CIE (CH) 2012-09-19 EP 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 KMT2A 2491/4885ALDH1A1 2411/4885LMNA 4053/4885
US-20140314699-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE COXFA4, CCR4, AFF4 KMT2A 2491/4885ALDH1A1 2411/4885LMNA 4053/4885

“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.