SCHEMBL3199095

SCHEMBL3199095

O=C(O)CCNC(=O)C1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.53
EPHX1 P07099 1/20 0.52
ITGB3 P05106 12/20 0.50
ITGA2B P08514 12/20 0.50
F2R P25116 8/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HSD17B10 Q99714 1/20 0.50
NPC1 O15118 1/20 0.49
PKM P14618 1/20 0.49
EPHX2 P34913 1/20 0.49
RAB9A P51151 1/20 0.49
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 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
SCHEMBL5901310 0.98 NAAA (0.56) NAAAEPHX1ITGB3ITGA2BF2R
SCHEMBL3199790 0.98 NAAA (0.56) NAAAEPHX1ITGB3ITGA2BF2R
SCHEMBL19359643 0.98 NAAA (0.56) NAAAEPHX1ITGB3ITGA2BF2R
SCHEMBL9951287 0.98 NAAA (0.56) NAAAEPHX1ITGB3ITGA2BF2R
SCHEMBL22139787 0.89 NAAA (0.44) NAAAEPHX1ITGB3ITGA2BF2R
SCHEMBL5902012 0.88 NAAA (0.59) NAAAEPHX1ITGB3ITGA2BSMN1; SMN2
SCHEMBL9831292 0.86 NAAA (0.62) NAAAEPHX1ITGB3ITGA2BSMN1; SMN2
SCHEMBL6502279 0.86 NAAA (0.62) NAAAEPHX1ITGB3ITGA2BF2R
SCHEMBL2678008 0.86 NAAA (0.62) NAAAEPHX1ITGB3ITGA2BF2R
SCHEMBL12999518 0.86 ITGB3 (0.43) NAAAITGB3ITGA2BF2R

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102319184-B Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO CO LTD 2015-03-25 CN disclosed
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
CN-102319184-A Parakeratosis inhibitor, pore contracting agent and composition for external application SHISEIDO CO LTD 2012-01-18 CN disclosed
CN-101175470-B Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO CO LTD 2011-09-14 CN disclosed
CN-101267803-B Wrinkle-improving agent SHISEIDO CO LTD 2011-06-08 CN disclosed
US-20100035881-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2010-02-11 US disclosed
CN-101267803-A Wrinkle-improving agent SHISEIDO CO LTD (JP) 2008-09-17 CN disclosed
EP-1941861-A1 WRINKLE-IMPROVING AGENT Shiseido Company, Limited (JP) 2008-07-09 EP disclosed
US-6878708-B2 Imidazotriazinones and the use thereof BAYER AKTIENGESELLSCHAFT (DE) 2005-04-12 US disclosed
US-20050049250-A1 7-Aikyl and cycloalkyl-substituted imidazotriazinones BAYER AKTIENGESELLSCHAFT (DE) 2005-03-03 US disclosed
EP-1280805-B1 NOVEL IMIDAZOTRIAZINONES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2005-02-09 EP disclosed
US-6838459-B1 7-alkyl-and cycloalkyl-substituted imidazotriazinones BAYER AKTIENGESELLSCHAFT (DE) 2005-01-04 US disclosed
US-20040097498-A1 Novel imidazotriazinones and the use thereof BAYER AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed
EP-1280805-A1 NOVEL IMIDAZOTRIAZINONES AND THE USE THEREOF Bayer Aktiengesellschaft (DE) 2003-02-05 EP disclosed
US-6476029-B1 7-alkyl- and cycloalkyl-substituted imidazotriazinones BAYER AKTIENGESELLSCHAFT (DE) 2002-11-05 US disclosed
WO-2001064677-A1 NOVEL IMIDAZOTRIAZINONES AND THE USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2001-09-07 WO disclosed
EP-1090003-A1 7-ALKYL- AND CYCLOALKYL-SUBSTITUTED IMIDAZOTRIAZINONES Bayer Aktiengesellschaft (DE) 2001-04-11 EP disclosed
WO-1999067244-A1 7-ALKYL- AND CYCLOALKYL-SUBSTITUTED IMIDAZOTRIAZINONES BAYER AKTIENGESELLSCHAFT (DE) 1999-12-29 WO 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 (5 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 NAAA 67/4885EPHX1 3679/4885ITGB3 3711/4885
US-20040097498-A1 Novel imidazotriazinones and the use thereof CYP4F3, CYP4F2, CYP3A7 NAAA 3998/4885EPHX1 2316/4885ITGB3 4221/4885
US-20050049250-A1 7-Aikyl and cycloalkyl-substituted imidazotriazinones PDE3A, PDE2A, PDE3B NAAA 723/4885EPHX1 1979/4885ITGB3 3898/4885
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.