SCHEMBL3206438

SCHEMBL3206438

CCOc1ccc(CNCCC(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
LTA4H P09960 2/20 0.52
S1PR1 P21453 7/20 0.51
S1PR3 Q99500 4/20 0.51
S1PR2 O95136 1/20 0.50
MEN1 O00255 1/20 0.50
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
S1PR5 Q9H228 1/20 0.49
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 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
SCHEMBL3199759 0.88 LMNA (0.66) KMT2ALTA4HS1PR1S1PR3S1PR2
SCHEMBL3205711 0.88 LTA4H (0.60) LTA4HS1PR1S1PR3S1PR2KDM4E
SCHEMBL3190312 0.86 S1PR1 (0.60) KMT2ANPC1RAB9ALTA4HS1PR1
SCHEMBL16839736 0.85 LTA4H (0.60) KMT2ANPC1RAB9ALTA4HMEN1
SCHEMBL3214390 0.84 MEN1 (0.64) KMT2ANPC1RAB9AS1PR1MEN1
SCHEMBL3669498 0.83 ALDH1A1 (0.56) KMT2ALTA4HS1PR1S1PR3S1PR2
SCHEMBL3197436 0.82 SMN1; SMN2 (0.64) KMT2AMEN1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL15891108 0.82 BCHE (0.69) KMT2ALTA4HS1PR1S1PR3MEN1
SCHEMBL3209336 0.82 S1PR1 (0.56) KMT2AS1PR1S1PR3S1PR2MEN1
Trifluoroacetic Acid SCHEMBL948584 0.81 LTA4H (0.56) KMT2ALTA4HS1PR1S1PR3S1PR2

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 KMT2A 4332/4885NPC1 3469/4885RAB9A 3240/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 KMT2A 4216/4885NPC1 1049/4885RAB9A 4613/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 KMT2A 4416/4885NPC1 3438/4885RAB9A 3250/4885

“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.