SCHEMBL16624912

SCHEMBL16624912

CCOC(=O)CC(c1ccccc1)C(C)C(=O)c1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.48
MAPT P10636 3/20 0.48
POLB P06746 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 5/20 0.46
LMNA P02545 3/20 0.46
MITF O75030 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HIF1A Q16665 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
CYP1A2 P05177 1/20 0.45
HSD17B10 Q99714 1/20 0.44
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 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
SCHEMBL16624893 0.90 MEN1 (0.48) NPSR1NPC1MEN1KMT2AALDH1A1
SCHEMBL16624901 0.88 F2 (0.46) NPSR1NPC1RAB9AMEN1KMT2A
SCHEMBL16624913 0.88 KCNA5 (0.52) NPSR1MAPTPOLBNPC1RAB9A
SCHEMBL16624910 0.87 SMN1; SMN2 (0.46) NPSR1MAPTPOLBNPC1RAB9A
SCHEMBL16624903 0.87 MAPT (0.45) NPSR1MAPTPOLBNPC1RAB9A
SCHEMBL16624899 0.85 ALDH1A1 (0.54) NPSR1MAPTPOLBNPC1RAB9A
SCHEMBL16624924 0.85 ALDH1A1 (0.45) NPSR1MAPTPOLBNPC1RAB9A
SCHEMBL1375091 0.85 LMNA (0.57) NPSR1MAPTPOLBNPC1RAB9A
SCHEMBL11264827 0.82 CES2 (0.51) NPSR1MAPTPOLBNPC1RAB9A
SCHEMBL5972748 0.81 TSHR (0.55) POLBNPC1MEN1KMT2AALDH1A1

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 NPSR1 682/4885MAPT 2152/4885POLB 832/4885

“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.