SCHEMBL3199587

SCHEMBL3199587

CCC(=O)N(CCC(=O)O)c1cccc(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.59
MTNR1B P49286 14/20 0.59
ALOX15 P16050 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL3199341 0.83 OPRM1 (0.54) MTNR1AMTNR1BLMNA
SCHEMBL3199140 0.81 TP53 (0.64)
SCHEMBL6365445 0.81 MTNR1A (0.54) MTNR1AMTNR1BLMNA
SCHEMBL4948501 0.79 TSHR (0.45) LMNA
SCHEMBL14229105 0.78 MTNR1A (0.62) MTNR1AMTNR1BALOX15PTGDR2
SCHEMBL26624253 0.78 MTNR1A (0.53) MTNR1AMTNR1BALOX15
SCHEMBL17742872 0.78 MEN1 (0.49) MTNR1AMTNR1BPTGDR2
SCHEMBL13725461 0.77 MTNR1A (0.53) MTNR1AMTNR1BALOX15LMNA
SCHEMBL14543537 0.77 HSD17B2 (0.57) MTNR1AMTNR1BALOX15
SCHEMBL14952907 0.77 MTNR1A (0.47) MTNR1AMTNR1BPTGDR2LMNA

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 MTNR1A 325/4885MTNR1B 573/4885ALOX15 257/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 MTNR1A 4693/4885MTNR1B 4856/4885ALOX15 2932/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 MTNR1A 415/4885MTNR1B 806/4885ALOX15 277/4885

“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.