SCHEMBL133261

SCHEMBL133261

CC(C)Cc1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)n2-c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.55
HPGD P15428 1/20 0.55
OXTR P30559 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GLA P06280 1/20 0.46
HSD11B1 P28845 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
TRPV1 Q8NER1 1/20 0.43

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
SCHEMBL10035322 0.87 MKNK1 (0.47) AVPR1ASMN1; SMN2HPGDOXTRALDH1A1
SCHEMBL10035347 0.87 MKNK1 (0.47) AVPR1ASMN1; SMN2HPGDOXTRALDH1A1
SCHEMBL10111049 0.86 HPGD (0.45) AVPR1ASMN1; SMN2HPGDOXTRKDM4E
SCHEMBL10110929 0.84 SMN1; SMN2 (0.46) AVPR1ASMN1; SMN2HPGDOXTRKDM4E
SCHEMBL10035334 0.84 MKNK1 (0.49) AVPR1A
SCHEMBL8339889 0.82 AVPR1A (0.78) AVPR1ASMN1; SMN2HPGDOXTRKDM4E
SCHEMBL4402535 0.82 AVPR1A (0.78) AVPR1ASMN1; SMN2HPGDOXTRKDM4E
SCHEMBL13045336 0.81 CNR2 (0.40) AVPR1AALDH1A1L3MBTL1CNR1CNR2
SCHEMBL10126581 0.81 SMN1; SMN2 (0.42) AVPR1ASMN1; SMN2HPGDOXTRKDM4E
SCHEMBL12230621 0.80 AVPR1A (0.40) AVPR1ASMN1; SMN2HPGDOXTRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404363-B2 Organic light emitting device CANON KABUSHIKI KAISHA (JP) 2013-03-26 US disclosed
US-8384286-B2 Compound and organic light emitting device using the compound CANON KABUSHIKI KAISHA (JP) 2013-02-26 US disclosed
US-8288017-B2 Fused ring aromatic compound and organic light-emitting device using same CANON KABUSHIKI KAISHA (JP) 2012-10-16 US disclosed
US-8253325-B2 Organic light-emitting device with microcavity structure and differing semi-transparent layer materials CANON KABUSHIKI KAISHA (JP) 2012-08-28 US disclosed
US-20120056172-A1 ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2012-03-08 US disclosed
US-20120043535-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE COMPOUND CANON KABUSHIKI KAISHA (JP) 2012-02-23 US disclosed
US-20110204352-A1 FUSED RING AROMATIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME CANON KABUSHIKI KAISHA (JP) 2011-08-25 US disclosed
US-20110089822-A1 ORGANIC LIGHT EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2011-04-21 US disclosed
US-20110031515-A1 ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2011-02-10 US disclosed
US-20080129192-A1 ORGANIC LIGHT EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2008-06-05 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-20110204352-A1 FUSED RING AROMATIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME ARL1, TYR, OR10J3 AVPR1A 2156/4885SMN1; SMN2 4577/4885HPGD 4425/4885

“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.