SCHEMBL3203330

SCHEMBL3203330

CCCc1ccccc1CCNCCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.43
S1PR3 Q99500 2/20 0.43
S1PR5 Q9H228 2/20 0.42
LTA4H P09960 2/20 0.41
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
KEAP1 Q14145 1/20 0.40
DRD2 P14416 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40

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
SCHEMBL3211199 0.92 S1PR5 (0.46) S1PR1S1PR3S1PR5LTA4HKEAP1
SCHEMBL3207414 0.89 S1PR5 (0.47) S1PR1S1PR3S1PR5LTB4RLTB4R2
SCHEMBL3207836 0.83 ITGB3 (0.49) S1PR1S1PR3
SCHEMBL3214552 0.81 MPO (0.61) S1PR1S1PR3
SCHEMBL3197663 0.81 MEN1 (0.53) S1PR1S1PR3S1PR5LTB4RLTB4R2
SCHEMBL3197489 0.80 CYP2C19 (0.51) S1PR1S1PR3LTB4RLTB4R2MTNR1A
SCHEMBL3210409 0.80 NPSR1 (0.55) S1PR1S1PR3S1PR5LTA4HLTB4R
SCHEMBL3195349 0.80 MTNR1A (0.61) MTNR1AMTNR1B
SCHEMBL3197434 0.79 L3MBTL1 (0.57) S1PR1S1PR3S1PR5SIGMAR1
SCHEMBL17447915 0.79 HDAC3 (0.57) LTB4RLTB4R2CYSLTR2CYSLTR1

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 S1PR1 4285/4885S1PR3 4277/4885S1PR5 4239/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 S1PR1 3861/4885S1PR3 4262/4885S1PR5 4460/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 S1PR1 4221/4885S1PR3 4332/4885S1PR5 4323/4885

“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.