SCHEMBL3209637

SCHEMBL3209637

CCCOc1ccc(C(=O)NCCC(=O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.69
RAB9A P51151 4/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
MAPT P10636 2/20 0.69
NFKB1 P19838 1/20 0.69
NFKB2 Q00653 1/20 0.69
RELA Q04206 1/20 0.69
PLK1 P53350 1/20 0.63
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
LMNA P02545 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
HPGD P15428 2/20 0.55
GAA P10253 1/20 0.55

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
SCHEMBL3197299 0.94 NPC1 (0.69) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL3203319 0.88 NPC1 (0.74) NPC1RAB9ASMN1; SMN2MAPTPLK1
SCHEMBL7739629 0.87 NPC1 (0.67) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL835053 0.85 PLK1 (0.67) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL2656631 0.84 NPC1 (0.67) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL2654883 0.84 NPC1 (0.67) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL750341 0.84 NPC1 (0.67) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL3207992 0.83 KMT2A (0.64) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL2650398 0.83 NPC1 (0.59) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL2654170 0.82 NPC1 (0.64) NPC1RAB9ASMN1; SMN2MAPTNFKB1

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 NPC1 3469/4885RAB9A 3240/4885SMN1; SMN2 24/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 NPC1 1049/4885RAB9A 4613/4885SMN1; SMN2 3451/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 NPC1 3438/4885RAB9A 3250/4885SMN1; SMN2 29/4885

“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.