SCHEMBL3199896

SCHEMBL3199896

O=C(O)CCNCCc1cccc(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.51
HDAC6 Q9UBN7 1/20 0.50
SLC6A5 Q9Y345 1/20 0.49
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
DRD2 P14416 1/20 0.47
DRD1 P21728 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
IDO1 P14902 1/20 0.47
OPRK1 P41145 3/20 0.46
OPRM1 P35372 2/20 0.46
OPRD1 P41143 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 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
SCHEMBL3197343 0.85 SLC2A4 (0.53) HDAC6SLC6A5KMT2ADRD2OPRK1
SCHEMBL18114812 0.84 OPRK1 (0.62) SLC6A5DRD2DRD1TAAR1OPRK1
SCHEMBL65250 0.83 KEAP1 (0.63) HDAC6DRD2DRD1TAAR1IDO1
SCHEMBL31336237 0.83 KEAP1 (0.63) HDAC6DRD2DRD1TAAR1IDO1
SCHEMBL29563859 0.83 KEAP1 (0.63) HDAC6DRD2DRD1TAAR1IDO1
SCHEMBL2751166 0.83 KEAP1 (0.63) HDAC6ALDH1A1SMN1; SMN2S1PR1S1PR3
SCHEMBL3213481 0.83 HDAC3 (0.52) HDAC6ALDH1A1KMT2ATAAR1FFAR1
SCHEMBL3054084 0.83 FFAR1 (0.55) ALDH1A1KMT2ATAAR1FFAR1KDM4E
SCHEMBL3210964 0.83 MTNR1A (0.48) ALDH1A1KMT2ASMN1; SMN2S1PR1S1PR3
SCHEMBL3197693 0.83 MTNR1A (0.48) ALDH1A1KMT2ASMN1; SMN2S1PR1S1PR3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 SPR 3658/4885HDAC6 1443/4885SLC6A5 2921/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 SPR 3689/4885HDAC6 1707/4885SLC6A5 3183/4885

“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.