SCHEMBL3207991

SCHEMBL3207991

COc1ccc(C(=O)NCCC(=O)O)c(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.64
ALDH1A1 P00352 5/20 0.60
HPGD P15428 3/20 0.60
GAA P10253 2/20 0.60
HTT P42858 2/20 0.60
PKM P14618 1/20 0.60
LMNA P02545 2/20 0.59
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
HDAC3 O15379 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
NAMPT P43490 1/20 0.55
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.50

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
SCHEMBL2677706 0.92 TP53 (0.61) TP53ALDH1A1HPGDGAAHTT
SCHEMBL13593371 0.89 NAMPT (0.62) TP53ALDH1A1HPGDGAAHTT
SCHEMBL3196899 0.86 RAB9A (0.55) TP53ALDH1A1HPGDHTTLMNA
SCHEMBL13913239 0.85 NAMPT (0.70) TP53ALDH1A1HPGDGAAHTT
SCHEMBL6359764 0.85 ALDH1A1 (0.68) TP53ALDH1A1HPGDGAAHTT
SCHEMBL28673069 0.84 MCHR1 (0.51) TP53ALDH1A1HPGDGAALMNA
SCHEMBL6360359 0.83 HDAC3 (0.76) TP53ALDH1A1HPGDGAAHTT
SCHEMBL10793237 0.82 TP53 (0.71) TP53ALDH1A1HPGDGAAHTT
SCHEMBL13577928 0.82 HDAC3 (0.70) TP53ALDH1A1HPGDGAAHTT
SCHEMBL6504797 0.81 TP53 (0.69) TP53ALDH1A1HPGDGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937090-B2 Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO COMPANY, LTD. (JP) 2015-01-20 US disclosed
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin SHISEIDO COMPANY, LTD. (JP) 2012-09-13 US disclosed
US-20120165409-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2012-06-28 US disclosed
US-20100035881-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2010-02-11 US disclosed
EP-1941861-A1 WRINKLE-IMPROVING AGENT Shiseido Company, Limited (JP) 2008-07-09 EP disclosed
EP-1880711-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-01-23 EP 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 (3 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-20100035881-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 TP53 4346/4885ALDH1A1 1501/4885HPGD 1474/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 TP53 494/4885ALDH1A1 3543/4885HPGD 2394/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 TP53 4030/4885ALDH1A1 1151/4885HPGD 1299/4885

“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.