SCHEMBL3361173

SCHEMBL3361173

C/C(=C\CCC(=O)O)c1ccc(C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
TRPV1 Q8NER1 1/20 0.47
TBXAS1 P24557 3/20 0.46
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RAB9A P51151 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
LMNA P02545 3/20 0.42
PKM P14618 2/20 0.42
ATM Q13315 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 2/20 0.42
NLRP1 Q9C000 1/20 0.42
NTSR1 P30989 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL3361176 1.00 KMT2A (0.55) KMT2ATRPV1TBXAS1ALDH1A1SMN1; SMN2
SCHEMBL3361178 1.00 KMT2A (0.55) KMT2ATRPV1TBXAS1ALDH1A1SMN1; SMN2
SCHEMBL11308181 0.87 ALDH1A1 (0.48) KMT2ATRPV1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL8618113 0.84 TBXAS1 (0.44) TBXAS1ALDH1A1RAB9AHTTCES2
SCHEMBL8618110 0.84 TBXAS1 (0.44) TBXAS1ALDH1A1RAB9AHTTCES2
SCHEMBL2242758 0.80 TRPV1 (0.49) KMT2ATRPV1TBXAS1ALDH1A1SMN1; SMN2
SCHEMBL2242761 0.80 TRPV1 (0.49) KMT2ATRPV1TBXAS1ALDH1A1SMN1; SMN2
SCHEMBL20960605 0.79 KMT2A (0.51) KMT2ATRPV1TBXAS1ALDH1A1SMN1; SMN2
SCHEMBL2244119 0.78 ALDH1A1 (0.41) KMT2ATRPV1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL2244115 0.78 ALDH1A1 (0.41) KMT2ATRPV1ALDH1A1SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20140314699-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE COXFA4, CCR4, AFF4 KMT2A 2491/4885TRPV1 211/4885TBXAS1 3560/4885

“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.