SCHEMBL3208911

SCHEMBL3208911

COc1ccc(C(=O)NCCC(=O)O)cc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.64
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
MARS1 P56192 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.51
MAPK1 P28482 1/20 0.51
PDE4D Q08499 1/20 0.51
TP53 P04637 1/20 0.51
GAA P10253 2/20 0.51
HTT P42858 1/20 0.51
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
MAPT P10636 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
TSHR P16473 1/20 0.48
NME4 O00746 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CHRM1 P11229 1/20 0.48
ADORA2A P29274 1/20 0.48
AVPR2 P30518 1/20 0.48

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
SCHEMBL28134814 0.89 POLB (0.81) POLBRAB9ANPC1MARS1SMN1; SMN2
SCHEMBL3206371 0.89 POLB (0.64) POLBRAB9ANPC1MARS1SMN1; SMN2
SCHEMBL3199273 0.88 POLB (0.80) POLBRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL18273917 0.83 POLB (0.72) POLBRAB9ANPC1MARS1SMN1; SMN2
SCHEMBL2677587 0.83 POLB (0.90) POLBRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL24021265 0.82 POLB (0.70) POLBRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL30311533 0.82 POLB (0.67) POLBNPC1SMN1; SMN2MAPK1SLC29A1
SCHEMBL29215500 0.82 POLB (0.67) POLBNPC1SMN1; SMN2MAPK1SLC29A1
SCHEMBL3187483 0.82 SIRT5 (0.58) POLBMAPK1GAACA1CA2
SCHEMBL24021266 0.80 POLB (0.67) POLBRAB9ANPC1SMN1; SMN2MAPK1

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.