SCHEMBL14739209

SCHEMBL14739209

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
LMNA P02545 6/20 0.55
RECQL P46063 2/20 0.55
HSD17B10 Q99714 2/20 0.55
ALOX15 P16050 1/20 0.55
APEX1 P27695 1/20 0.55
MAPK1 P28482 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MAPT P10636 6/20 0.51
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
NPSR1 Q6W5P4 2/20 0.48
HSP90AA1 P07900 1/20 0.47
THRB P10828 1/20 0.47
HDAC1 Q13547 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.43
KCNH2 Q12809 1/20 0.43
SRD5A2 P31213 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL29270113 0.79 HDAC3 (0.58) ALDH1A1LMNARECQLHSD17B10ALOX15
SCHEMBL11014128 0.79 MAPT (0.58) ALDH1A1LMNARECQLHSD17B10ALOX15
SCHEMBL2634592 0.76 ALDH1A1 (0.67) ALDH1A1LMNARECQLHSD17B10ALOX15
SCHEMBL2633915 0.76 ALDH1A1 (0.67) ALDH1A1LMNARECQLHSD17B10ALOX15
SCHEMBL2633940 0.76 ALDH1A1 (0.67) ALDH1A1LMNARECQLHSD17B10ALOX15
SCHEMBL5789171 0.75 ALDH1A1 (0.62) ALDH1A1LMNARECQLHSD17B10ALOX15
SCHEMBL11204474 0.75 ALDH1A1 (0.56) ALDH1A1LMNARECQLHSD17B10ALOX15
SCHEMBL3823835 0.74 RAB9A (0.52) ALDH1A1LMNARECQLHSD17B10ALOX15
SCHEMBL29041229 0.74 MAPT (0.65) ALDH1A1LMNARECQLHSD17B10ALOX15
SCHEMBL29041227 0.74 KMT2A (0.77) ALDH1A1LMNARECQLHSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059924-A1 PHOTOSTABILISERS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-03-07 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-20130059924-A1 PHOTOSTABILISERS ALDH1A1, ALDH18A1, ALDH1A2 ALDH1A1 1/4885LMNA 3093/4885RECQL 2478/4885

“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.