SCHEMBL3207348

SCHEMBL3207348

Cc1ccc(CNCCC(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.60
FFAR1 O14842 2/20 0.57
CHRM2 P08172 1/20 0.56
HDAC3 O15379 3/20 0.54
HDAC4 P56524 3/20 0.54
HDAC1 Q13547 3/20 0.54
HDAC7 Q8WUI4 3/20 0.54
HDAC2 Q92769 3/20 0.54
HDAC10 Q969S8 3/20 0.54
HDAC11 Q96DB2 3/20 0.54
HDAC8 Q9BY41 3/20 0.54
HDAC6 Q9UBN7 3/20 0.54
HDAC9 Q9UKV0 3/20 0.54
HDAC5 Q9UQL6 3/20 0.54
S1PR3 Q99500 2/20 0.53
S1PR2 O95136 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50

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) S1PR1FFAR1HDAC3HDAC1HDAC2
SCHEMBL18639224 0.85 CHRM2 (0.56) S1PR1FFAR1CHRM2HDAC3HDAC4
SCHEMBL3209336 0.85 S1PR1 (0.56) S1PR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL5939339 0.85 FFAR1 (0.56) FFAR1CHRM2SMN1; SMN2NPC1KMT2A
SCHEMBL3190637 0.84 FFAR1 (0.56) S1PR1FFAR1S1PR3SMN1; SMN2NPC1
SCHEMBL3187395 0.83 S1PR1 (0.50) S1PR1HDAC3HDAC1HDAC2HDAC8
SCHEMBL2224632 0.82 MEN1 (0.64) S1PR1FFAR1CHRM2HDAC3HDAC1
SCHEMBL13731468 0.82 MAPT (0.52) S1PR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL24233107 0.82 HSD17B10 (0.57) S1PR1S1PR3S1PR2KMT2AALDH1A1
SCHEMBL3197357 0.82 S1PR1 (0.66) S1PR1FFAR1S1PR3S1PR2KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440554-B1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS MERCK SERONO SA (CH) 2016-10-05 EP disclosed
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
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 (4 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 4285/4885FFAR1 991/4885CHRM2 2681/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 S1PR1 3861/4885FFAR1 3927/4885CHRM2 4853/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 S1PR1 4221/4885FFAR1 1285/4885CHRM2 2976/4885
US-20060004005-A1 Triazines derivatives as cell adhesion inhibitors ICAM1, VCAM1, CD74 S1PR1 532/4885FFAR1 260/4885CHRM2 1203/4885

“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.