SCHEMBL3437781

SCHEMBL3437781

c1ccc(-c2c3cccc4c5ccccc5c(c34)c3c4ccc(-c5ccccn5)c5cccc(c23)c54)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
TGFBR1 P36897 2/20 0.35
PRKCI P41743 1/20 0.35
LMNA P02545 5/20 0.34
KDM4E B2RXH2 4/20 0.34
CCR1 P32246 2/20 0.34
CCR5 P51681 2/20 0.34
CCR8 P51685 2/20 0.34
METAP1 P53582 2/20 0.34
HIF1A Q16665 2/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
BLM P54132 1/20 0.34
DOHH Q9BU89 1/20 0.34
P4HTM Q9NXG6 1/20 0.34
SMN1; SMN2 Q16637 7/20 0.34
MAPK1 P28482 3/20 0.34
TP53 P04637 3/20 0.34
HTT P42858 3/20 0.34
ALPL P05186 1/20 0.34

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
SCHEMBL3437790 0.91 MAPK1 (0.33) BRD4TGFBR1PRKCILMNAKDM4E
SCHEMBL10015411 0.88 MAPK1 (0.34) BRD4TGFBR1PRKCILMNAKDM4E
SCHEMBL10015403 0.88 MAPK1 (0.34) BRD4TGFBR1PRKCILMNAKDM4E
SCHEMBL10015447 0.87 MAPK1 (0.35) BRD4TGFBR1PRKCILMNAKDM4E
SCHEMBL21705108 0.85 MAPK1 (0.34) BRD4TGFBR1LMNAKDM4ECCR1
SCHEMBL15385298 0.84 MAPK1 (0.33) BRD4TGFBR1LMNAKDM4ECCR1
SCHEMBL21704897 0.83 ESR1 (0.35) TGFBR1LMNAKDM4ECCR1CCR5
SCHEMBL15077968 0.82 KDM4E (0.50) BRD4TGFBR1PRKCILMNAKDM4E
SCHEMBL14461110 0.82 HSD17B10 (0.32) HIF1ACYP1A2MAPK1HSD17B10TSHR
SCHEMBL23806048 0.82 BTK (0.34) TGFBR1HIF1AMAPK1L3MBTL1MAPT

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
EP-2448894-B1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CANON KK (JP) 2014-09-10 EP disclosed
US-8822043-B2 Organic compound and organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2014-09-02 US disclosed
US-8822043-B2 Organic compound and organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2014-09-02 US disclosed
US-20120091450-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2012-04-19 US disclosed
US-20120091450-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2012-04-19 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-20120091450-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE TRPA1, AFF4, TYR BRD4 451/4885TGFBR1 630/4885PRKCI 4189/4885

“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.