SCHEMBL16624922

SCHEMBL16624922

Cc1ccc(C(=O)C(C)C(CC(=O)OCCC(C)C)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.41
CYP2C19 P33261 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
MAPK1 P28482 2/20 0.41
SLC22A1 O15245 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CYP19A1 P11511 1/20 0.39
PPARG P37231 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
F2 P00734 1/20 0.38
CYP2D6 P10635 1/20 0.38
KCNA5 P22460 1/20 0.38

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
SCHEMBL16624896 0.92 SLC22A1 (0.42) CYP3A4CYP2C19NPSR1MAPK1SLC22A1
SCHEMBL19071630 0.90 CYP3A4 (0.39) CYP3A4CYP2C19NPSR1CYP1A2CYP2C9
SCHEMBL19070886 0.89 NPSR1 (0.40) CYP3A4CYP2C19NPSR1CYP1A2CYP2C9
SCHEMBL16624903 0.88 MAPT (0.45) NPSR1CYP1A2MAPK1ALDH1A1MAPT
SCHEMBL19070983 0.88 MEN1 (0.40) CYP3A4CYP2C19NPSR1CYP1A2CYP2C9
SCHEMBL16624901 0.87 F2 (0.46) CYP3A4CYP2C19NPSR1CYP1A2CYP2C9
SCHEMBL16624915 0.86 SMN1; SMN2 (0.44) CYP3A4CYP2C19NPSR1CYP1A2CYP2C9
SCHEMBL16624907 0.84 ALOX15 (0.45) CYP3A4CYP2C19NPSR1CYP1A2CYP2C9
SCHEMBL16624908 0.83 KCNA5 (0.53) CYP3A4CYP2C19NPSR1CYP1A2CYP2C9
SCHEMBL19071591 0.81 CYP3A4 (0.39) CYP3A4CYP2C19NPSR1CYP1A2CYP2C9

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
EP-2864284-B1 PHOTOLABILE PRO-FRAGRANCES HENKEL AG & CO KGAA (DE) 2017-07-05 EP disclosed
US-9458081-B2 Photolabile pro-fragrances HENKEL AG & CO. KGAA (DE) 2016-10-04 US disclosed
US-9458081-B2 Photolabile pro-fragrances HENKEL AG & CO. KGAA (DE) 2016-10-04 US disclosed
US-20150099809-A1 PHOTOLABILE PRO-FRAGRANCES HENKEL AG & CO. KGAA (DE) 2015-04-09 US disclosed
US-20150099809-A1 PHOTOLABILE PRO-FRAGRANCES HENKEL AG & CO. KGAA (DE) 2015-04-09 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-20150099809-A1 PHOTOLABILE PRO-FRAGRANCES TRPA1, PSAP, CRY1 CYP3A4 716/4885CYP2C19 1384/4885NPSR1 682/4885

“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.