SCHEMBL3199341

SCHEMBL3199341

CCC(=O)N(CCC(=O)O)c1ccc(OC)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.54
LMNA P02545 1/20 0.49
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PDE4B Q07343 1/20 0.45
RNF4 P78317 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45

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
SCHEMBL10893728 0.86 TRPM8 (0.55) OPRM1LMNAKDM4EALDH1A1RNF4
SCHEMBL11226855 0.84 MTNR1A (0.50) LMNAALDH1A1PDE4BRNF4TRPM8
SCHEMBL10913927 0.83 LMNA (0.47) LMNAPDE4BRNF4TRPM8MTNR1A
SCHEMBL3199587 0.83 MTNR1A (0.59) LMNAMTNR1AMTNR1B
SCHEMBL3199140 0.82 TP53 (0.64) OPRM1ALDH1A1
SCHEMBL4948501 0.81 TSHR (0.45) LMNAALDH1A1PDE4B
SCHEMBL11226870 0.79 TSHR (0.65) KDM4EALDH1A1PDE4BMTNR1AMTNR1B
SCHEMBL11119371 0.79 PDE4B (0.51) LMNAKDM4EALDH1A1PDE4BMTNR1A
SCHEMBL12520776 0.78 LMNA (0.46) LMNAPDE4BRNF4TRPM8MTNR1A
SCHEMBL8916917 0.78 LMNA (0.50) LMNAPDE4BMTNR1AMTNR1B

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 OPRM1 3972/4885LMNA 133/4885KDM4E 4157/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 OPRM1 4752/4885LMNA 277/4885KDM4E 3885/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 OPRM1 3949/4885LMNA 105/4885KDM4E 4258/4885

“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.