SCHEMBL17129705

SCHEMBL17129705

CC1=C(C(=O)CC(C)C(C)C(=O)c2ccc(OCCOc3ccc(C(=O)C(C)C(C)CC(=O)C4=C(C)CCCC4(C)C)cc3)cc2)C(C)(C)CCC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.37
PPARG P37231 2/20 0.34
RARG P13631 3/20 0.34
RARA P10276 2/20 0.34
RXRA P19793 2/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 1/20 0.34
CYP3A4 P08684 2/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
CYP26A1 O43174 1/20 0.33
CYP26B1 Q9NR63 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
GBA1 P04062 1/20 0.32
PSMB1 P20618 1/20 0.32
PSMB5 P28074 1/20 0.32
PSMB2 P49721 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL14227671 0.90 ALDH1A1 (0.38) RARBMAPK1L3MBTL1
SCHEMBL17675719 0.87 RXRA (0.43) RARBRARGRARARXRACYP3A4
SCHEMBL17675717 0.86 CYP3A4 (0.37) RARBRARGRARARXRAMAPT
SCHEMBL16624155 0.86 ESR1 (0.40) PPARGMAPK1CYP3A4HRH2HRH1
SCHEMBL14227659 0.85 RARB (0.35) RARBRARGRARARXRAMAPT
SCHEMBL17676149 0.85 RARB (0.33) RARBRARGRARARXRA
SCHEMBL16624154 0.84 HRH3 (0.32) HRH3GBA1
SCHEMBL14227676 0.81 SLC6A4 (0.40) RARBMAPTMAPK1CYP3A4L3MBTL1
SCHEMBL14227665 0.79 MEN1 (0.40) MAPK1
SCHEMBL17129734 0.79 MAPT (0.34) PPARGMAPTMAPK1CYP3A4HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160362356-A1 PHOTOLABILE PRO-FRAGRANCES HENKEL AG & CO. KGAA (DE) 2016-12-15 US disclosed
US-20160362356-A1 PHOTOLABILE PRO-FRAGRANCES HENKEL AG & CO. KGAA (DE) 2016-12-15 US disclosed
WO-2015144484-A1 PHOTOLABILE PRO-FRAGRANCES HENKEL AG & CO. KGAA (DE) 2015-10-01 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-20160362356-A1 PHOTOLABILE PRO-FRAGRANCES CUTA, FAAH, FAAH2 RARB 2511/4885PPARG 1499/4885RARG 2385/4885

“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.