SCHEMBL9951287

SCHEMBL9951287

O=C(O)CCNC(=O)C1CCCCC1.O=C(O)CCNC(=O)C1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.56
EPHX1 P07099 1/20 0.55
ITGB3 P05106 11/20 0.52
ITGA2B P08514 11/20 0.52
F2R P25116 7/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
PKM P14618 1/20 0.51
EPHX2 P34913 1/20 0.51
RAB9A P51151 1/20 0.51
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
HSD17B10 Q99714 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 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
SCHEMBL19359643 1.00 NAAA (0.56) NAAAEPHX1ITGB3ITGA2BF2R
SCHEMBL3199790 1.00 NAAA (0.56) NAAAEPHX1ITGB3ITGA2BF2R
SCHEMBL5901310 1.00 NAAA (0.56) NAAAEPHX1ITGB3ITGA2BF2R
SCHEMBL3199095 0.98 NAAA (0.53) NAAAEPHX1ITGB3ITGA2BF2R
SCHEMBL2678008 0.89 NAAA (0.62) NAAAEPHX1ITGB3ITGA2BF2R
SCHEMBL6502279 0.89 NAAA (0.62) NAAAEPHX1ITGB3ITGA2BF2R
SCHEMBL9831302 0.88 ALDH1A1 (0.48) NAAAEPHX1ITGB3ITGA2BF2R
SCHEMBL22139787 0.87 NAAA (0.44) NAAAEPHX1ITGB3ITGA2BF2R
SCHEMBL9829575 0.87 NAAA (0.65) NAAAEPHX1ITGB3ITGA2BF2R
SCHEMBL5902012 0.86 NAAA (0.59) NAAAEPHX1ITGB3ITGA2BSMN1; SMN2

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 3 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

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-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 NAAA 177/4885EPHX1 3301/4885ITGB3 4773/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 NAAA 76/4885EPHX1 3879/4885ITGB3 3891/4885

“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.