SCHEMBL19397591

SCHEMBL19397591

c1ccc(-c2ccc(-c3cc(-c4cc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)cc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c4)nc(-c4ccc(-c5ccncc5)cc4)n3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.50
▸ MEN1 O00255 5/20 0.50
▸ MAPT P10636 3/20 0.50
▸ HSP90AA1 P07900 1/20 0.50
▸ ESR1 P03372 1/20 0.50
▸ ESR2 Q92731 1/20 0.50
▸ GRIA1 P42261 1/20 0.44
▸ CACNG8 Q8WXS5 1/20 0.44
▸ CACNG2 Q9Y698 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ KCNH2 Q12809 1/20 0.42
▸ AOC3 Q16853 1/20 0.42
▸ PRKACA P17612 1/20 0.41
▸ RPS6KB1 P23443 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ ATR Q13535 1/20 0.41
▸ HTT P42858 3/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41

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
SCHEMBL19397541 1.00 KMT2A (0.50) KMT2AMEN1MAPTHSP90AA1ESR1
SCHEMBL19397445 0.94 KMT2A (0.49) KMT2AMEN1MAPTHSP90AA1ESR1
SCHEMBL19397596 0.90 ESR1 (0.47) KMT2AMEN1MAPTHSP90AA1ESR1
SCHEMBL16305278 0.89 ESR2 (0.49) KMT2AMEN1MAPTHSP90AA1ESR1
SCHEMBL19397538 0.89 ESR1 (0.48) KMT2AMEN1MAPTHSP90AA1ESR1
SCHEMBL15172059 0.88 ESR2 (0.63) KMT2AMEN1MAPTHSP90AA1ESR1
SCHEMBL14225283 0.88 ESR1 (0.56) KMT2AMEN1MAPTESR1ESR2
SCHEMBL21158000 0.87 ESR1 (0.56) KMT2AMEN1MAPTHSP90AA1ESR1
SCHEMBL19369870 0.87 ESR1 (0.56) KMT2AMEN1MAPTHSP90AA1ESR1
SCHEMBL21158506 0.87 ESR1 (0.56) KMT2AMEN1MAPTHSP90AA1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10580995-B2 Compounds for organic electroluminescent components and organic electroluminescent devices using the same E-RAY OPTOELECTRONICS TECHNOLOGY CO., LTD. (TW) 2020-03-03 — — US disclosed
US-20170279054-A1 COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT COMPONENTS AND ORGANIC ELECTROLUMINESCENT DEVICES USING THE SAME E-RAY OPTOELECTRONICS TECHNOLOGY CO., LTD. (TW) 2017-09-28 — — US disclosed
US-20170279054-A1 COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT COMPONENTS AND ORGANIC ELECTROLUMINESCENT DEVICES USING THE SAME E-RAY OPTOELECTRONICS TECHNOLOGY CO., LTD. (TW) 2017-09-28 — — 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 (2 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-10580995-B2 Compounds for organic electroluminescent components and organic electroluminescent devices using the same C1S, AOC2, L1CAM KMT2A 3347/4885MEN1 682/4885MAPT 3242/4885
US-20170279054-A1 COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT COMPONENTS AND ORGANIC ELECTROLUMINESCENT DEVICES USING THE SAME L1CAM, C1S, F10 KMT2A 3322/4885MEN1 509/4885MAPT 3912/4885

“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.

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