SCHEMBL3199273

SCHEMBL3199273

COc1ccc(C(=O)NCCC(=O)O)cc1OC

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.80
RAB9A P51151 3/20 0.68
NPC1 O15118 2/20 0.68
SMN1; SMN2 Q16637 3/20 0.64
GAA P10253 1/20 0.64
HTT P42858 1/20 0.64
NR1H4 Q96RI1 1/20 0.62
MAPT P10636 1/20 0.61
TP53 P04637 1/20 0.60
KMT2A Q03164 3/20 0.57
ROCK2 O75116 1/20 0.57
MAPK1 P28482 1/20 0.57
MEN1 O00255 1/20 0.57
TSHR P16473 1/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA4 P22748 1/20 0.56
CA6 P23280 1/20 0.56
CA7 P43166 1/20 0.56

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
SCHEMBL2677587 0.91 POLB (0.90) POLBRAB9ANPC1SMN1; SMN2GAA
SCHEMBL11024933 0.89 POLB (1.00) POLBRAB9ANPC1SMN1; SMN2GAA
SCHEMBL3208911 0.88 POLB (0.64) POLBRAB9ANPC1SMN1; SMN2GAA
SCHEMBL3206371 0.88 POLB (0.64) POLBRAB9ANPC1SMN1; SMN2GAA
SCHEMBL23120215 0.84 SMPD1 (0.71) POLBRAB9ANPC1SMN1; SMN2GAA
SCHEMBL11761148 0.84 POLB (0.84) POLBRAB9ANPC1SMN1; SMN2GAA
SCHEMBL930908 0.84 ROCK2 (0.76) POLBRAB9ANPC1SMN1; SMN2GAA
SCHEMBL8178988 0.84 PDE4A (0.71) POLBRAB9ANPC1SMN1; SMN2GAA
SCHEMBL7955009 0.83 RAB9A (0.66) POLBRAB9ANPC1SMN1; SMN2GAA
SCHEMBL15596029 0.83 RAB9A (0.66) POLBRAB9ANPC1SMN1; SMN2GAA

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 POLB 1408/4885RAB9A 3240/4885NPC1 3469/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 POLB 1724/4885RAB9A 4613/4885NPC1 1049/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 POLB 882/4885RAB9A 3250/4885NPC1 3438/4885

“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.