SCHEMBL29913619

SCHEMBL29913619

C/C=C/CCCC1(C(=O)OCC)CCCC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 0.39
CYP3A4 P08684 5/20 0.39
ALDH1A1 P00352 4/20 0.39
TSHR P16473 2/20 0.39
CYP2C9 P11712 1/20 0.39
MAPT P10636 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2D6 P10635 1/20 0.34
PRKCA P17252 2/20 0.32
NR1I2 O75469 1/20 0.31
PGR P06401 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
PTGS2 P35354 1/20 0.31
PDE4D Q08499 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FAAH O00519 2/20 0.31
ATM Q13315 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL28865279 1.00 CYP2C19 (0.39) CYP2C19CYP3A4ALDH1A1TSHRCYP2C9
SCHEMBL23925105 1.00 CYP2C19 (0.39) CYP2C19CYP3A4ALDH1A1TSHRCYP2C9
SCHEMBL4804036 0.84 CYP2C19 (0.39) CYP2C19CYP3A4ALDH1A1TSHRCYP2C9
SCHEMBL4810386 0.84 SIRT2 (0.40) CYP2C19CYP3A4ALDH1A1TSHRCYP2C9
SCHEMBL23924985 0.83 CYP2C19 (0.36) CYP2C19CYP3A4ALDH1A1TSHRCYP2C9
SCHEMBL23672275 0.83 CYP2C19 (0.36) CYP2C19CYP3A4ALDH1A1TSHRCYP2C9
SCHEMBL10477317 0.83 CYP1A2 (0.39) CYP2C19CYP3A4ALDH1A1TSHRCYP2C9
SCHEMBL25303385 0.82
SCHEMBL6905227 0.82 SIRT2 (0.43) CYP2C19CYP3A4
SCHEMBL25303382 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12503668-B2 Odorant compound FIRMENICH SA (CH) 2025-12-23 US disclosed
US-20230227751-A1 ODORANT COMPOUND FIRMENICH SA (CH) 2023-07-20 US disclosed
EP-4097199-A1 ODORANT COMPOUND Firmenich SA (CH) 2022-12-07 EP disclosed
CN-115210348-A Odorant compounds 弗门尼舍有限公司 2022-10-18 CN 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-20230227751-A1 ODORANT COMPOUND TRPA1, ACLY, CYP3A5 CYP2C19 182/4885CYP3A4 108/4885ALDH1A1 220/4885
US-12503668-B2 Odorant compound TRPA1, ACLY, CYP3A5 CYP2C19 182/4885CYP3A4 108/4885ALDH1A1 220/4885

“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.