SCHEMBL19665178

SCHEMBL19665178

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
KMT2A Q03164 3/20 0.49
CYP3A4 P08684 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.49
ALOX15 P16050 2/20 0.49
NR4A2 P43354 1/20 0.49
UGT1A1 P22309 1/20 0.49
GAA P10253 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 2/20 0.43
ICMT O60725 1/20 0.43
GMNN O75496 1/20 0.43
TRPA1 O75762 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL9270268 0.89 CYP3A4 (0.47) MAPTKMT2ACYP3A4ALDH1A1MEN1
SCHEMBL19665138 0.86 KMT2A (0.51) MAPTKMT2ACYP3A4ALDH1A1MEN1
SCHEMBL17844409 0.86 KMT2A (0.51) MAPTKMT2ACYP3A4ALDH1A1MEN1
Farnesol SCHEMBL3040180 0.83 MAPT (0.61) MAPTKMT2ACYP3A4ALDH1A1MEN1
SCHEMBL12085774 0.81 NR4A2 (0.49) MAPTKMT2ACYP3A4ALDH1A1MEN1
Geraniol SCHEMBL28645505 0.81 CYP3A4 (0.59) MAPTKMT2ACYP3A4ALDH1A1MEN1
Farnesol SCHEMBL9270279 0.80 MAPT (0.56) MAPTKMT2ACYP3A4ALDH1A1MEN1
SCHEMBL11748666 0.79 L3MBTL1 (0.48) MAPTKMT2ACYP3A4ALDH1A1MEN1
Plaunotol SCHEMBL11303873 0.76 SQLE (0.57) MAPTKMT2ACYP3A4ALDH1A1MEN1
Benzoic Acid SCHEMBL11308732 0.76 SQLE (0.57) MAPTKMT2ACYP3A4ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170349858-A1 PHOTOLABILE FRAGRANCE PRECURSOR COMPOUND HENKEL AG & CO. KGAA (DE) 2017-12-07 US 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-20170349858-A1 PHOTOLABILE FRAGRANCE PRECURSOR COMPOUND TRPA1, CYP1A1, TRPV1 MAPT 1653/4885KMT2A 644/4885CYP3A4 71/4885

“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.