SCHEMBL3196982

SCHEMBL3196982

CCCOc1ccc(NCCC(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.60
LMNA P02545 1/20 0.60
POLB P06746 1/20 0.56
ALDH1A1 P00352 6/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
GAA P10253 3/20 0.55
MAPT P10636 5/20 0.53
PLK1 P53350 1/20 0.50
FAAH O00519 1/20 0.49
S1PR1 P21453 2/20 0.48
S1PR3 Q99500 2/20 0.48
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 2/20 0.48
PPARA Q07869 1/20 0.48
TSHR P16473 1/20 0.47
RAB9A P51151 1/20 0.47
MCL1 Q07820 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL3188560 0.94 L3MBTL1 (0.62) L3MBTL1LMNAPOLBALDH1A1GAA
SCHEMBL3200689 0.87 POLB (0.59) LMNAPOLBALDH1A1CYP1A2GAA
SCHEMBL3196523 0.82 ALDH1A1 (0.58) L3MBTL1LMNAPOLBALDH1A1CYP1A2
SCHEMBL3203778 0.80 POLB (0.68) L3MBTL1LMNAPOLBALDH1A1GAA
SCHEMBL3209637 0.79 NPC1 (0.69) L3MBTL1LMNAGAAMAPTPLK1
SCHEMBL3199759 0.79 LMNA (0.66) L3MBTL1LMNAALDH1A1GAAS1PR1
SCHEMBL3209163 0.79 THRB (0.59) L3MBTL1ALDH1A1GAAMAPTFAAH
SCHEMBL3199117 0.78 LMNA (0.73) L3MBTL1LMNAALDH1A1MAPTS1PR1
SCHEMBL3229859 0.77 MAPT (0.56) LMNAPOLBALDH1A1CYP1A2CYP2C19
SCHEMBL16379040 0.76 PLA2G4B (0.50) L3MBTL1POLBGAAS1PR1S1PR3

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 L3MBTL1 874/4885LMNA 133/4885POLB 1408/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 L3MBTL1 1100/4885LMNA 277/4885POLB 1724/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 L3MBTL1 999/4885LMNA 105/4885POLB 882/4885

“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.