SCHEMBL12345129

SCHEMBL12345129

c1ccc(-c2cc(-c3ccc4ccc5c(-c6ccnc(-c7ccccc7)c6)ccc6ccc3c4c65)ccn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.47
ASIC3 Q9UHC3 1/20 0.46
PIM1 P11309 1/20 0.41
PRKDC P78527 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
CDK1 P06493 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
MAPKAPK3 Q16644 1/20 0.40
MAPKAPK5 Q8IW41 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
AURKA O14965 1/20 0.39
HSP90AA1 P07900 1/20 0.39
PRKACA P17612 1/20 0.39
ADORA2A P29274 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.38
NPC1 O15118 1/20 0.38
PIK3CA P42336 1/20 0.38

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
SCHEMBL14849182 0.87 PLAU (0.41) TGFBR1ASIC3PIM1PRKDCKDM4E
SCHEMBL17427693 0.84 PIK3CA (0.41) PRKDCKDM4EALDH1A1MAPTMAPKAPK2
SCHEMBL17427675 0.83 PRKDC (0.41) TGFBR1ASIC3PIM1PRKDCKDM4E
SCHEMBL17880394 0.80 GUSB (0.37) TGFBR1ASIC3PIM1PRKDCKDM4E
SCHEMBL17876909 0.80 GABRA1 (0.41) ASIC3PIM1KDM4EALDH1A1MAPT
SCHEMBL16483059 0.79 DHODH (0.40) TGFBR1PRKDCKDM4EHPGDAURKA
SCHEMBL17427690 0.79 TGFBR1 (0.44) TGFBR1KDM4EALDH1A1MAPTHPGD
SCHEMBL19367560 0.77 CYP19A1 (0.44) KDM4EALDH1A1MAPTHPGDMKNK1
SCHEMBL16483351 0.77 KDM4E (0.41) TGFBR1PRKDCKDM4EMAPTHPGD
SCHEMBL16484807 0.77 KDM4E (0.41) TGFBR1PRKDCKDM4EHPGDHSP90AA1

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
EP-2500343-B1 ORGANIC MATERIALS AND ORGANIC ELECTROLUMINESCENT APPARATUSES USING THE SAME BEIJING VISIONOX TECHNOLOGY CO (CN) 2018-01-31 EP disclosed
US-9412951-B2 Organic materials and organic electroluminescent apparatuses using the same BEIJING VISIONOX TECHNOLOGY CO., LTD. (CN) 2016-08-09 US disclosed
US-9412951-B2 Organic materials and organic electroluminescent apparatuses using the same BEIJING VISIONOX TECHNOLOGY CO., LTD. (CN) 2016-08-09 US disclosed
US-20130087771-A1 ORGANIC MATERIALS AND ORGANIC ELECTROLUMINESCENT APPARATUSES USING THE SAME BEIJING VISIONOX TECHNOLOGY CO., LTD (CN) 2013-04-11 US disclosed
US-20130087771-A1 ORGANIC MATERIALS AND ORGANIC ELECTROLUMINESCENT APPARATUSES USING THE SAME BEIJING VISIONOX TECHNOLOGY CO., LTD (CN) 2013-04-11 US disclosed
EP-2500343-A1 ORGANIC MATERIALS AND ORGANIC ELECTROLUMINESCENT APPARATUSES USING THE SAME Beijing Visionox Technology Co., Ltd. (CN) 2012-09-19 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-20130087771-A1 ORGANIC MATERIALS AND ORGANIC ELECTROLUMINESCENT APPARATUSES USING THE SAME OR10J3, ORC3, OR51E2 TGFBR1 4181/4885ASIC3 560/4885PIM1 4003/4885

“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.