SCHEMBL3209336

SCHEMBL3209336

CCc1ccc(CNCCC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.56
S1PR3 Q99500 2/20 0.56
S1PR2 O95136 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.48
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44

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
SCHEMBL3669498 0.90 ALDH1A1 (0.56) S1PR1S1PR3S1PR2ALDH1A1KMT2A
SCHEMBL3197357 0.86 S1PR1 (0.66) S1PR1S1PR3S1PR2L3MBTL1ALDH1A1
SCHEMBL3207348 0.85 S1PR1 (0.60) S1PR1S1PR3S1PR2ALDH1A1KMT2A
SCHEMBL23105604 0.85 LMNA (0.52) S1PR1S1PR3S1PR2L3MBTL1ALDH1A1
SCHEMBL3195756 0.84 S1PR1 (0.49) S1PR1S1PR3S1PR2L3MBTL1ALDH1A1
SCHEMBL3187395 0.83 S1PR1 (0.50) S1PR1S1PR3S1PR2ALDH1A1HDAC3
SCHEMBL3206273 0.83 S1PR5 (0.47) S1PR1S1PR3S1PR2ALDH1A1KMT2A
SCHEMBL2224632 0.82 MEN1 (0.64) S1PR1ALDH1A1KMT2AMEN1HDAC3
SCHEMBL24233107 0.82 HSD17B10 (0.57) S1PR1S1PR3S1PR2ALDH1A1LMNA
SCHEMBL3206438 0.82 KMT2A (0.60) S1PR1S1PR3S1PR2L3MBTL1LMNA

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-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
US-20060004005-A1 Triazines derivatives as cell adhesion inhibitors SATTIGERI VISWAJANANI J 2006-01-05 US disclosed
WO-2005030735-A1 TRIAZINES DERIVATIVES AS CELL ADHESION INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2005-04-07 WO 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 S1PR1 4285/4885S1PR3 4277/4885S1PR2 4469/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 S1PR1 4221/4885S1PR3 4332/4885S1PR2 4487/4885
US-20060004005-A1 Triazines derivatives as cell adhesion inhibitors ICAM1, VCAM1, CD74 S1PR1 532/4885S1PR3 721/4885S1PR2 1238/4885

“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.