SCHEMBL234378

SCHEMBL234378

CC(C)=CCC/C(C)=C(\C)C#N

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.41
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 2/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
UGT1A1 P22309 1/20 0.40
SQLE Q14534 6/20 0.39
KDM4E B2RXH2 2/20 0.38
ATM Q13315 1/20 0.38
POLB P06746 1/20 0.36
NR1I2 O75469 1/20 0.34
LMNA P02545 1/20 0.34
PGR P06401 1/20 0.34

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
SCHEMBL11558624 1.00 KMT2A (0.44) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL7158021 0.82 KMT2A (0.44) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL11384039 0.80 KMT2A (0.43) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL16485911 0.77 TSHR (0.37) TSHR
SCHEMBL11560319 0.77 KMT2A (0.40) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL3017518 0.77 KMT2A (0.40) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL3640419 0.74 ALDH1A1 (0.39) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL3640422 0.74 ALDH1A1 (0.39) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL7567993 0.73 TSHR (0.50) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL8464166 0.72 KMT2A (0.55) KMT2AMEN1CYP3A4ALOX15MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346816-B1 Chemically stable ingredients as lemon odorant FIRMENICH & CIE (CH) 2013-01-23 EP disclosed
US-8313736-B2 Chemically stable ingredients as lemon odorant FIRMENICH SA (CH) 2012-11-20 US disclosed
US-20120003170-A1 CHEMICALLY STABLE INGREDIENTS AS LEMON ODORANT FIRMENICH SA (CH) 2012-01-05 US disclosed
EP-2346816-A1 CHEMICALLY STABLE INGREDIENTS AS LEMON ODORANT Firmenich S.A. (CH) 2011-07-27 EP disclosed
WO-2011033410-A1 NITRILE COMPOUNDS AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 2011-03-24 WO disclosed
WO-2010044031-A1 CHEMICALLY STABLE INGREDIENTS AS LEMON ODORANT FIRMENICH SA (CH) 2010-04-22 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-20120003170-A1 CHEMICALLY STABLE INGREDIENTS AS LEMON ODORANT NISCH, TAS2R5, ODC1 KMT2A 2309/4885MEN1 466/4885CYP3A4 767/4885

“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.