SCHEMBL3159666

SCHEMBL3159666

COCCOCOc1cc[c]cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.39
KDM4E B2RXH2 2/20 0.38
RECQL P46063 1/20 0.38
F2 P00734 1/20 0.34
ELANE P08246 1/20 0.34
AOC2 O75106 1/20 0.32
APP P05067 2/20 0.30
ALDH1A1 P00352 1/20 0.30
NQO1 P15559 1/20 0.30

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
SCHEMBL1866194 0.88 KDM4E (0.49) KDM4ERECQLAPP
SCHEMBL3167260 0.88 KDM4E (0.49) KDM4ERECQLAPP
SCHEMBL28556579 0.88 KDM4E (0.49) KDM4ERECQLAPP
SCHEMBL483029 0.85 KDM4E (0.41) KDM4ERECQLALDH1A1
SCHEMBL757706 0.83 MMP2 (0.35) NQO1
SCHEMBL17707239 0.82 LTA4H (0.37) NQO1
SCHEMBL3163804 0.80 CTNNB1 (0.35) CTNNB1KDM4ERECQLF2ELANE
SCHEMBL919416 0.79 KCNA3 (0.44) KDM4ERECQLALDH1A1
SCHEMBL919131 0.79 KCNA3 (0.39) KDM4ERECQLALDH1A1
SCHEMBL9369921 0.79 KCNA3 (0.50) RECQLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0292808-B1 Substituted vinyl cephalosporins, process for their preparation and their use as medicines BAYER AG (DE) 1994-03-02 EP claimed
US-4988685-A Cephalosporins derivatives BAYER AKTIENGESELLSCHAFT (DE) 1991-01-29 US claimed
US-4849531-A Process for the preparation of 2,3-epoxyamides BAYER AKTIENGESELLSCHAFT (DE) 1989-07-18 US claimed
EP-0292808-A2 Substituted vinyl cephalosporins, process for their preparation and their use as medicines BAYER AG (DE) 1988-11-30 EP claimed
EP-0244717-A2 Process for the preparation of 2,3-epoxyamides BAYER AG (DE) 1987-11-11 EP claimed
CN-115181082-B Synthetic method of natural molecule Moracin M 江苏集萃分子工程研究院有限公司 2023-11-03 CN disclosed
CN-115181082-A Synthetic method of natural molecule Moracin M 江苏集萃分子工程研究院有限公司 2022-10-14 CN disclosed
EP-1630165-B1 [1,2,4]TRIAZOLO[1,5-a]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF NIPPON KAYAKU KK (JP) 2010-03-31 EP disclosed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
US-7371773-B2 Breast cancer resistance protein (BCRP) inhibitor KABUSHIKI KAISHA YAKULT HONSHA (JP) 2008-05-13 US disclosed
US-7338941-B2 Pharmaceutical compositions for lowering blood glucose and blood cholesterol levels DIAKRON PHARMACEUTICALS, INC. (US) 2008-03-04 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
US-5171854-A Antibiotics BAYER AKTIENGESELLSCHAFT (DE) 1992-12-15 US disclosed
EP-0429999-A1 Novel cephalosporins, process for their preparation and their use as medicaments BAYER AG (DE) 1991-06-05 EP disclosed
US-4988685-A Cephalosporins derivatives BAYER AKTIENGESELLSCHAFT (DE) 1991-01-29 US disclosed
US-4849531-A Process for the preparation of 2,3-epoxyamides BAYER AKTIENGESELLSCHAFT (DE) 1989-07-18 US disclosed
CN-88103202-A Vinyl cephalosporin compound that replaces and preparation method thereof and as the application of medicine 1988-12-21 CN disclosed
EP-0292808-A2 Substituted vinyl cephalosporins, process for their preparation and their use as medicines BAYER AG (DE) 1988-11-30 EP disclosed
EP-0284954-A2 Cephalosporinderivatives, process for their preparation and their use in pharmaceutical products BAYER AG (DE) 1988-10-05 EP disclosed
EP-0244717-A2 Process for the preparation of 2,3-epoxyamides BAYER AG (DE) 1987-11-11 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 (1 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-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof HLA-C, TPMT, TAP1 CTNNB1 3503/4885KDM4E 2344/4885RECQL 4010/4885

“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.