SCHEMBL21308563

SCHEMBL21308563

c1ccc(-c2nc3ccccc3n2-c2ccc(-c3ccc(-c4c5ccccc5nc5c4ccc4cccnc45)cc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.49
▸ ESR2 Q92731 3/20 0.49
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ GRIA1 P42261 1/20 0.43
▸ CACNG8 Q8WXS5 1/20 0.43
▸ CACNG2 Q9Y698 1/20 0.43
▸ PTGS2 P35354 1/20 0.40
▸ ALDH1A1 P00352 7/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ RECQL P46063 1/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL20208409 0.99 ESR1 (0.50) ESR1ESR2MEN1KMT2AHSP90AA1
SCHEMBL21308867 0.97 ESR1 (0.44) ESR1ESR2MEN1KMT2AHSP90AA1
SCHEMBL20208108 0.96 ESR1 (0.45) ESR1ESR2MEN1KMT2AHSP90AA1
SCHEMBL20207874 0.92 ESR1 (0.43) ESR1ESR2MEN1KMT2AHSP90AA1
SCHEMBL21308927 0.91 ESR1 (0.41) ESR1ESR2MEN1KMT2AHSP90AA1
SCHEMBL21308895 0.89 ESR1 (0.43) ESR1ESR2MEN1KMT2AHSP90AA1
SCHEMBL21308535 0.89 ESR1 (0.43) ESR1ESR2MEN1KMT2AHSP90AA1
SCHEMBL21308499 0.86 ESR1 (0.50) ESR1ESR2MEN1KMT2AHSP90AA1
SCHEMBL21308761 0.85 ESR1 (0.51) ESR1ESR2MEN1KMT2AHSP90AA1
SCHEMBL1103055 0.85 ESR1 (0.52) ESR1ESR2MEN1KMT2AHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11248008-B2 Heterocyclic compound and organic light emitting element using same LT MATERIALS CO., LTD. (KR) 2022-02-15 — — US disclosed
US-20190263834-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING SAME HEESUNG MATERIAL LTD. (KR) 2019-08-29 — — 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-20190263834-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING SAME CRY1, CRY2, CYP1A1 ESR1 223/4885ESR2 622/4885MEN1 555/4885
US-11248008-B2 Heterocyclic compound and organic light emitting element using same CRY1, CRY2, CYP1A1 ESR1 223/4885ESR2 622/4885MEN1 555/4885

“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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