SCHEMBL3207414

SCHEMBL3207414

CCCc1ccccc1CNCCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 3/20 0.47
S1PR1 P21453 3/20 0.44
S1PR3 Q99500 3/20 0.44
S1PR2 O95136 1/20 0.44
MPO P05164 2/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
FFAR1 O14842 1/20 0.40
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.40
S1PR4 O95977 1/20 0.40
FOLH1 Q04609 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 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
SCHEMBL3203330 0.89 S1PR1 (0.43) S1PR5S1PR1S1PR3LTB4RLTB4R2
SCHEMBL3200509 0.88 S1PR5 (0.53) S1PR5S1PR1MPOCA12CA2
SCHEMBL3210618 0.80 CHRM2 (0.59) S1PR5S1PR1KMT2AHTT
SCHEMBL3211199 0.80 S1PR5 (0.46) S1PR5S1PR1S1PR3MPOFFAR1
SCHEMBL8181213 0.78 TSHR (0.48) MPOCA12CA2KMT2A
SCHEMBL5940285 0.78 FOLH1 (0.58) FFAR1KMT2AHTTFOLH1
SCHEMBL3200193 0.78 CA12 (0.69) MPOCA12CA2
SCHEMBL3188601 0.78 MEN1 (0.54) S1PR5LTB4RLTB4R2KMT2A
SCHEMBL17447915 0.78 HDAC3 (0.57) FFAR1LTB4RLTB4R2KMT2ACYSLTR2
SCHEMBL3211336 0.77 ALDH1A1 (0.57) LTB4RLTB4R2KMT2A

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

“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.