SCHEMBL1183480

SCHEMBL1183480

CC(O)/C=C/C1=C(C(C)C)CCCC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
ALDH1A1 P00352 9/20 0.37
PTGS1 P23219 4/20 0.37
LMNA P02545 2/20 0.37
DRD3 P35462 2/20 0.37
SLCO1B3 Q9NPD5 1/20 0.37
SLCO1B1 Q9Y6L6 1/20 0.37
CYP3A4 P08684 5/20 0.34
APP P05067 4/20 0.34
SNCA P37840 4/20 0.34
ALOX15 P16050 3/20 0.34
TSHR P16473 2/20 0.34
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NR2E1 Q9Y466 1/20 0.34
RXRA P19793 6/20 0.33
MAPT P10636 6/20 0.33
RARA P10276 4/20 0.33
RARB P10826 4/20 0.33
RARG P13631 4/20 0.33

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
SCHEMBL1181869 0.90
SCHEMBL11472130 0.81 CYP1A2 (0.57) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL891562 0.81 CYP1A2 (0.57) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL1997874 0.81 CYP1A2 (0.57) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL1183320 0.78 CYP1A2 (0.49) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL1182943 0.78 CYP1A2 (0.49) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL29066458 0.71 CYP1A2 (0.35) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL29180286 0.71 CYP1A2 (0.35) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL21198720 0.71 CYP1A2 (0.46) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL1183177 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445424-B2 Fragrance GIVAUDAN SA (CH) 2013-05-21 US disclosed
US-20110039755-A1 Fragrance GIVAUDAN SA (CH) 2011-02-17 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-20110039755-A1 Fragrance MUS81, MSMO1, H1-0 CYP1A2 419/4885ALDH1A1 609/4885PTGS1 1817/4885

“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.