SCHEMBL3199244

SCHEMBL3199244

COc1ccc(CNCCC(=O)O)cc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.61
TRPV1 Q8NER1 4/20 0.59
CYP3A4 P08684 3/20 0.52
ALOX15 P16050 2/20 0.52
KDM4E B2RXH2 2/20 0.52
TSHR P16473 2/20 0.52
RAB9A P51151 1/20 0.52
ALOX12 P18054 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
POLB P06746 1/20 0.50
CYP19A1 P11511 1/20 0.49
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
CYP1A2 P05177 1/20 0.48
NFKB1 P19838 1/20 0.48

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
SCHEMBL3211191 0.89 ALDH1A1 (0.61) GAATRPV1CYP3A4ALOX15TSHR
SCHEMBL3187109 0.88 KDM4E (0.64) GAACYP3A4KDM4EHDAC3HDAC1
SCHEMBL3209768 0.87 GAA (0.60) GAATRPV1CYP3A4ALOX15TSHR
SCHEMBL8532510 0.86 ALOX15 (0.62) GAATRPV1CYP3A4ALOX15KDM4E
SCHEMBL5471820 0.84 GAA (0.51) GAACYP3A4KDM4EHDAC3HDAC1
SCHEMBL30873035 0.82 ALOX15 (0.57) GAATRPV1CYP3A4ALOX15KDM4E
SCHEMBL27182644 0.82 ALOX15 (0.57) GAATRPV1CYP3A4ALOX15KDM4E
SCHEMBL3197575 0.82 KDM4E (0.55) GAATRPV1ALOX15KDM4ETSHR
SCHEMBL490726 0.80 GAA (0.71) GAATRPV1CYP3A4ALOX15TSHR
SCHEMBL31337638 0.80 GAA (0.71) GAATRPV1CYP3A4ALOX15TSHR

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 GAA 43/4885TRPV1 832/4885CYP3A4 4513/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 GAA 486/4885TRPV1 124/4885CYP3A4 4084/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 GAA 40/4885TRPV1 1203/4885CYP3A4 4511/4885

“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.