SCHEMBL3199759

SCHEMBL3199759

CCCOc1ccc(CNCCC(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
KDM4E B2RXH2 2/20 0.62
LTA4H P09960 2/20 0.57
S1PR1 P21453 8/20 0.56
S1PR3 Q99500 6/20 0.56
S1PR5 Q9H228 1/20 0.53
S1PR2 O95136 3/20 0.52
LPAR2 Q9HBW0 2/20 0.52
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 1/20 0.50
MITF O75030 1/20 0.49
GAA P10253 1/20 0.49
DRD4 P21917 1/20 0.49

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
SCHEMBL3205711 0.94 LTA4H (0.60) LMNAL3MBTL1KDM4ELTA4HS1PR1
SCHEMBL3206438 0.88 KMT2A (0.60) LMNAL3MBTL1KDM4ELTA4HS1PR1
SCHEMBL3199117 0.87 LMNA (0.73) LMNAL3MBTL1LTA4HS1PR1S1PR3
Trifluoroacetic Acid SCHEMBL948584 0.87 LTA4H (0.56) LMNAL3MBTL1KDM4ELTA4HS1PR1
Trifluoroacetic Acid SCHEMBL948191 0.85 S1PR1 (0.56) LMNAL3MBTL1KDM4ELTA4HS1PR1
Trifluoroacetic Acid SCHEMBL946574 0.84 S1PR1 (0.58) LMNAL3MBTL1KDM4ELTA4HS1PR1
Trifluoroacetic Acid SCHEMBL947984 0.84 S1PR1 (0.58) LMNAL3MBTL1KDM4ELTA4HS1PR1
Trifluoroacetic Acid SCHEMBL948072 0.84 S1PR1 (0.58) LMNAL3MBTL1KDM4ELTA4HS1PR1
SCHEMBL3208902 0.83 KDM4E (0.54) LMNAL3MBTL1KDM4ELTA4HS1PR1
SCHEMBL15890981 0.83 S1PR1 (0.71) LTA4HS1PR1S1PR3S1PR5KMT2A

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 LMNA 133/4885L3MBTL1 874/4885KDM4E 4157/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 LMNA 277/4885L3MBTL1 1100/4885KDM4E 3885/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 LMNA 105/4885L3MBTL1 999/4885KDM4E 4258/4885

“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.