SCHEMBL10065679

SCHEMBL10065679

CC(C)(C)c1ccc(C2=CC(c3ccc(C(C)(C)C)cc3)=N/C2=C\c2[nH]c(-c3ccc(C(C)(C)C)cc3)cc2-c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.40
KMT2A Q03164 2/20 0.35
MITF O75030 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
CSF1R P07333 1/20 0.32
CCNB2 O95067 1/20 0.30
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
CCNB3 Q8WWL7 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
NR2F2 P24468 1/20 0.30
RAB9A P51151 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
SCHEMBL15305012 0.96 GCGR (0.38) GCGRKMT2AMITFALDH1A1TP53
SCHEMBL12851903 0.84 GCGR (0.34) GCGRCCNB2CDK1CCNB1GSK3A
SCHEMBL12851691 0.82 ALDH1A1 (0.41) GCGRKMT2AALDH1A1TP53CCNB2
SCHEMBL12851834 0.82 ALDH1A1 (0.41) GCGRKMT2AALDH1A1TP53CCNB2
SCHEMBL10082086 0.74 GCGR (0.40) GCGRKMT2AMITFALDH1A1TP53
SCHEMBL186253 0.72 GCGR (0.47) GCGRKMT2AMITFALDH1A1TP53
SCHEMBL10082012 0.70 GCGR (0.40) GCGRKMT2AMITFALDH1A1TP53
SCHEMBL15305019 0.70 NR1H4 (0.33) NPC1RAB9A
SCHEMBL15946100 0.69 GCGR (0.36) GCGRKMT2AMITFALDH1A1TP53
SCHEMBL186808 0.68 GCGR (0.43) GCGRKMT2AMITFALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778510-B2 Pyrromethene-boron complex compounds and organic electroluminescent elements using same IDEMITSU KOSAN CO., LTD. (JP) 2014-07-15 US disclosed
US-8778510-B2 Pyrromethene-boron complex compounds and organic electroluminescent elements using same IDEMITSU KOSAN CO., LTD. (JP) 2014-07-15 US disclosed
EP-2402351-B1 PYRROMETHENE-BORON COMPLEX COMPOUNDS AND ORGANIC ELECTRO- LUMINESCENT ELEMENTS USING SAME IDEMITSU KOSAN CO (JP) 2013-10-09 EP disclosed
US-20120037890-A1 PYRROMETHENE-BORON COMPLEX COMPOUNDS AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME MITSUI CHEMICALS, INC. 2012-02-16 US disclosed
US-20120037890-A1 PYRROMETHENE-BORON COMPLEX COMPOUNDS AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME MITSUI CHEMICALS, INC. 2012-02-16 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 (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-20120037890-A1 PYRROMETHENE-BORON COMPLEX COMPOUNDS AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME LEF1, ZRANB2, AFF1 GCGR 2138/4885KMT2A 1733/4885MITF 680/4885

“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.