SCHEMBL16624926

SCHEMBL16624926

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

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 9/20 0.58
ALDH1A1 P00352 5/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP3A4 P08684 2/20 0.44
KMT2A Q03164 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL16624908 0.91 KCNA5 (0.53) KCNA5ALDH1A1SMN1; SMN2NPSR1TDP1
SCHEMBL16624913 0.90 KCNA5 (0.52) KCNA5ALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL16624893 0.85 MEN1 (0.48) KCNA5ALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL12473253 0.85 KCNA5 (0.65) KCNA5ALDH1A1KMT2ATSHR
SCHEMBL16624925 0.83 ALDH1A1 (0.51) ALDH1A1LMNASMN1; SMN2NPSR1HTT
SCHEMBL9909376 0.83 KCNA5 (0.64) KCNA5ALDH1A1KMT2A
SCHEMBL5522123 0.83 KCNA5 (0.64) KCNA5ALDH1A1KMT2A
SCHEMBL16624896 0.81 SLC22A1 (0.42) KCNA5ALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL8535929 0.80 KCNA5 (0.49) KCNA5ALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL16624914 0.79 SMN1; SMN2 (0.47) ALDH1A1LMNASMN1; SMN2TDP1CYP3A4

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 1303/4885ALDH1A1 236/4885LMNA 1058/4885

“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.