SCHEMBL3200689

SCHEMBL3200689

CCOc1ccc(NCCC(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
LMNA P02545 2/20 0.56
CYP1A2 P05177 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
GAA P10253 1/20 0.55
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 4/20 0.51
HTT P42858 2/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HPGD P15428 1/20 0.50
KDM4E B2RXH2 1/20 0.50
RPS6KA2 Q15349 1/20 0.49
MAPK1 P28482 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
SCHEMBL3196982 0.87 L3MBTL1 (0.60) POLBLMNACYP1A2GAAALDH1A1
SCHEMBL3188560 0.87 L3MBTL1 (0.62) POLBLMNAGAAALDH1A1
SCHEMBL3203778 0.83 POLB (0.68) POLBLMNATDP1GAAALDH1A1
SCHEMBL2454762 0.83 KMT2A (0.59) POLBKMT2AMEN1LMNACYP1A2
SCHEMBL3209772 0.81 HPGD (0.53) POLBKMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL22499933 0.79 GAA (0.62) POLBKMT2AMEN1LMNACYP1A2
SCHEMBL7824567 0.79 HTT (0.75) POLBKMT2AMEN1LMNACYP1A2
SCHEMBL11361714 0.78 GAA (0.66) POLBKMT2AMEN1LMNACYP1A2
SCHEMBL18158251 0.78 POLB (0.74) POLBKMT2AMEN1GAAALDH1A1
SCHEMBL3203319 0.78 NPC1 (0.74) POLBKMT2AMEN1LMNAALDH1A1

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 1408/4885KMT2A 4332/4885MEN1 3690/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 POLB 1724/4885KMT2A 4216/4885MEN1 1767/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 POLB 882/4885KMT2A 4416/4885MEN1 3470/4885

“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.