SCHEMBL19397445

SCHEMBL19397445

c1ccc(-c2ccc(-c3cc(-c4cccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c4)nc(-c4ccncc4)n3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.49
▸ MEN1 O00255 6/20 0.49
▸ MAPT P10636 3/20 0.49
▸ HSP90AA1 P07900 1/20 0.49
▸ ESR1 P03372 1/20 0.49
▸ ESR2 Q92731 1/20 0.49
▸ GRIA1 P42261 1/20 0.43
▸ CACNG8 Q8WXS5 1/20 0.43
▸ CACNG2 Q9Y698 1/20 0.43
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ KCNH2 Q12809 1/20 0.41
▸ AOC3 Q16853 1/20 0.41
▸ HTT P42858 3/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40

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 0.94 KMT2A (0.50) KMT2AMEN1MAPTHSP90AA1ESR1
SCHEMBL19397591 0.94 KMT2A (0.50) KMT2AMEN1MAPTHSP90AA1ESR1
SCHEMBL22310189 0.93 ESR1 (0.56) KMT2AMEN1MAPTHSP90AA1ESR1
SCHEMBL21158507 0.92 ESR1 (0.54) KMT2AMEN1MAPTHSP90AA1ESR1
SCHEMBL19369873 0.92 ESR1 (0.54) KMT2AMEN1MAPTHSP90AA1ESR1
SCHEMBL22308609 0.91 ESR1 (0.53) KMT2AMEN1MAPTHSP90AA1ESR1
SCHEMBL22308607 0.91 ESR1 (0.53) KMT2AMEN1MAPTHSP90AA1ESR1
SCHEMBL22308608 0.91 ESR1 (0.53) KMT2AMEN1MAPTHSP90AA1ESR1
SCHEMBL21158039 0.91 ESR1 (0.56) KMT2AMEN1MAPTHSP90AA1ESR1
SCHEMBL21158506 0.91 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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