SCHEMBL911165

SCHEMBL911165

O=[C]c1cc(O)c(O)c(O)c1C(=O)c1cc(O)c(O)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.47
KDM4E B2RXH2 3/20 0.43
LMNA P02545 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
FUT7 Q11130 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
TP53 P04637 1/20 0.43
CA3 P07451 1/20 0.43
SELL P14151 1/20 0.43
HPGD P15428 1/20 0.43
SELP P16109 1/20 0.43
FUT4 P22083 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
DPP4 P27487 1/20 0.43
MAPK1 P28482 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
SCHEMBL21935531 0.77 KDM4E (0.56) HDAC1KDM4ELMNATDP1ALDH1A1
SCHEMBL19003637 0.74 HDAC1 (0.52) HDAC1KDM4ELMNATDP1ALDH1A1
SCHEMBL352369 0.73 KDM4E (0.65) HDAC1KDM4ELMNATDP1ALDH1A1
SCHEMBL6472830 0.72 SELL (0.33) HDAC1KDM4ELMNATDP1ALDH1A1
SCHEMBL7105629 0.71 KDM4E (0.56) HDAC1KDM4ELMNATDP1ALDH1A1
SCHEMBL2786050 0.69 KDM4E (0.60) HDAC1KDM4ELMNATDP1ALDH1A1
SCHEMBL352504 0.69 FASN (0.74) HDAC1KDM4ELMNATDP1ALDH1A1
SCHEMBL21935537 0.67 HDAC1 (0.64) HDAC1KDM4ELMNATDP1ALDH1A1
SCHEMBL9638961 0.67 HDAC1 (0.70) HDAC1KDM4ELMNATDP1ALDH1A1
SCHEMBL2727736 0.66 KDM4E (0.54) HDAC1KDM4ELMNATDP1ALDH1A1

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-20110004019-A1 Parakeratosis Inhibitor, Pore-Shrinking Agent, Or Rough Skin Inhibiting/Ameliorating Agent, And External Composition For Skin Containing The Same SHISEIDO COMPANY LTD. (JP) 2011-01-06 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-20110004019-A1 Parakeratosis Inhibitor, Pore-Shrinking Agent, Or Rough Skin Inhibiting/Ameliorating Agent, And External Composition For Skin Containing The Same CUTA, GLRA3, ARGLU1 HDAC1 1206/4885KDM4E 662/4885LMNA 2447/4885

“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.