SCHEMBL3210409

SCHEMBL3210409

CCCCOc1ccccc1CCNCCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.55
LTB4R Q15722 2/20 0.54
LTB4R2 Q9NPC1 2/20 0.54
ALDH1A1 P00352 1/20 0.53
S1PR1 P21453 4/20 0.51
S1PR3 Q99500 2/20 0.51
PPARD Q03181 1/20 0.51
S1PR5 Q9H228 3/20 0.50
LTA4H P09960 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HIF1A Q16665 1/20 0.49
KDM4E B2RXH2 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
SCHEMBL3197663 0.93 MEN1 (0.53) NPSR1LTB4RLTB4R2ALDH1A1S1PR1
SCHEMBL3195513 0.88 S1PR5 (0.57) NPSR1LTB4RLTB4R2ALDH1A1S1PR5
SCHEMBL3197489 0.88 CYP2C19 (0.51) NPSR1LTB4RLTB4R2ALDH1A1S1PR1
SCHEMBL21243277 0.87 CYP1A2 (0.51) NPSR1PPARDKDM4E
SCHEMBL8072582 0.86 LTB4R (0.64) NPSR1LTB4RLTB4R2ALDH1A1PPARD
SCHEMBL8081157 0.82 LTB4R (0.67) NPSR1LTB4RLTB4R2PPARDMEN1
SCHEMBL3195349 0.82 MTNR1A (0.61) ALDH1A1KMT2AKDM4E
SCHEMBL3188601 0.81 MEN1 (0.54) NPSR1LTB4RLTB4R2ALDH1A1S1PR5
SCHEMBL10697320 0.81 LTB4R (0.69) NPSR1LTB4RLTB4R2PPARDMEN1
SCHEMBL19160930 0.81 LTB4R (0.69) NPSR1LTB4RLTB4R2PPARDMEN1

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 NPSR1 2216/4885LTB4R 1517/4885LTB4R2 1747/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 NPSR1 4560/4885LTB4R 2564/4885LTB4R2 2660/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 NPSR1 2485/4885LTB4R 1769/4885LTB4R2 2082/4885

“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.