SCHEMBL4267634

SCHEMBL4267634

CC(C)(O)C(C)(C)OB(O)c1ccc2c(-c3cccc4ccccc34)c3cc(B(O)OC(C)(C)C(C)(C)O)ccc3c(-c3cccc4ccccc34)c2c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.33
PPARA Q07869 3/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PPARD Q03181 1/20 0.33
GSK3B P49841 1/20 0.33
ADK P55263 1/20 0.33
SOS1 Q07889 1/20 0.32
PSD A5PKW4 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
DHFR P00374 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
KCNQ3 O43525 1/20 0.30
KCNQ2 O43526 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
SCHEMBL3455207 0.81
SCHEMBL1191660 0.78 MGLL (0.36)
SCHEMBL1191141 0.77 CA1 (0.47) GSK3BADKSOS1PSDGPR84
SCHEMBL517925 0.76 CA1 (0.50)
SCHEMBL5953116 0.73 ALDH1A1 (0.36) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL20019327 0.73 PPARG (0.36) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL8512846 0.72 PPARG (0.33) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL535000 0.72 KIF11 (0.47) MEN1KMT2A
SCHEMBL11969988 0.72 KIF11 (0.47) MEN1KMT2A
SCHEMBL16819113 0.71 KDM4E (0.44) CYP2C9CYP2C19MEN1KMT2A

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-9871213-B2 Organic electroluminescent device MERCK PATENT GMBH (DE) 2018-01-16 US disclosed
US-20160322570-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2016-11-03 US disclosed
US-9403849-B2 Organic electroluminescent device and boric acid and borinic acid derivatives used therein MERCK PATENT GMBH (DE) 2016-08-02 US disclosed
US-20150322091-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND BORIC ACID AND BORINIC ACID DERIVATIVES USED THEREIN MERCK PATENT GMBH (DE) 2015-11-12 US disclosed
US-8674141-B2 Organic electroluminescent device and boric acid and borinic acid derivatives used therein MERCK PATENT GMBH (DE) 2014-03-18 US disclosed
US-20090134384-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND BORIC ACID AND BORINIC ACID DERIVATIVES USED THEREIN MERCK PATENT GMBH (DE) 2009-05-28 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 (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-20090134384-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND BORIC ACID AND BORINIC ACID DERIVATIVES USED THEREIN BTD, ERG, OR10J3 PPARG 2580/4885PPARA 2616/4885CYP2C9 1754/4885
US-20160322570-A1 ORGANIC ELECTROLUMINESCENT DEVICE OR10J3, BTD, ERG PPARG 2594/4885PPARA 2385/4885CYP2C9 2395/4885
US-20150322091-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND BORIC ACID AND BORINIC ACID DERIVATIVES USED THEREIN BTD, ERG, OR10J3 PPARG 2580/4885PPARA 2616/4885CYP2C9 1754/4885

“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.