SCHEMBL16624908

SCHEMBL16624908

COC(=O)CC(c1ccccc1)C(C)C(=O)c1ccc(C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 8/20 0.53
NPSR1 Q6W5P4 2/20 0.46
CYP3A4 P08684 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
USP2 O75604 1/20 0.43
CYP2D6 P10635 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
PKM P14618 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL16624926 0.91 KCNA5 (0.58) KCNA5NPSR1CYP3A4CYP2C19KMT2A
SCHEMBL16624913 0.88 KCNA5 (0.52) KCNA5NPSR1CYP3A4CYP1A2RAB9A
SCHEMBL16624901 0.88 F2 (0.46) KCNA5NPSR1CYP3A4CYP2C19CYP1A2
SCHEMBL16624891 0.85 LMNA (0.45) NPSR1CYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL16624922 0.83 CYP3A4 (0.41) KCNA5NPSR1CYP3A4CYP2C19CYP1A2
SCHEMBL16624915 0.81 SMN1; SMN2 (0.44) NPSR1CYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL19071630 0.80 CYP3A4 (0.39) KCNA5NPSR1CYP3A4CYP2C19CYP1A2
SCHEMBL16624893 0.80 MEN1 (0.48) KCNA5NPSR1CYP3A4CYP2C19CYP1A2
SCHEMBL12473253 0.80 KCNA5 (0.65) KCNA5KMT2AALDH1A1
SCHEMBL16624928 0.80 CYP1B1 (0.41) NPSR1CYP3A4CYP2C19CYP1A2CYP2C9

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-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 KCNA5 1303/4885NPSR1 682/4885CYP3A4 716/4885

“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.