SCHEMBL16716632

SCHEMBL16716632

CC1(C)c2ccc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)cc2-c2cc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 9/20 0.42
▸ KMT2A Q03164 9/20 0.42
▸ RAB9A P51151 1/20 0.41
▸ MAPT P10636 6/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ HPGD P15428 5/20 0.40
▸ CYP19A1 P11511 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ LMNA P02545 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ RARA P10276 2/20 0.38
▸ RARB P10826 2/20 0.38
▸ RARG P13631 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ ADORA1 P30542 2/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA2B P29275 1/20 0.37

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
SCHEMBL16716548 0.97 KMT2A (0.43) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL17887055 0.96 PDK2 (0.41) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL19885780 0.96 PDK2 (0.41) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL30506455 0.96 PDK2 (0.41) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL16785910 0.95 MEN1 (0.46) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL16785909 0.95 MEN1 (0.46) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL19885802 0.94 PDK2 (0.43) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL17887124 0.94 PDK2 (0.43) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL19885777 0.94 PDK2 (0.43) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL23874004 0.93 PDK2 (0.43) MEN1KMT2ARAB9AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9882146-B2 Heterocyclic compound and organic electronic element containing same LG CHEM, LTD. (KR) 2018-01-30 — — US disclosed
US-9882146-B2 Heterocyclic compound and organic electronic element containing same LG CHEM, LTD. (KR) 2018-01-30 — — US disclosed
US-20160218298-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT CONTAINING SAME LG CHEM, LTD. (KR) 2016-07-28 — — US disclosed
US-20160218298-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT CONTAINING SAME LG CHEM, LTD. (KR) 2016-07-28 — — US disclosed
US-9391281-B2 Heterocyclic compound and organic electronic element containing same LG CHEM, LTD. (KR) 2016-07-12 — — US disclosed
US-9391281-B2 Heterocyclic compound and organic electronic element containing same LG CHEM, LTD. (KR) 2016-07-12 — — US disclosed
US-20150162543-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT CONTAINING SAME LG CHEM, LTD. (KR) 2015-06-11 — — US disclosed
US-20150162543-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT CONTAINING SAME LG CHEM, LTD. (KR) 2015-06-11 — — US disclosed
EP-2873667-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT CONTAINING SAME LG Chem, Ltd. (KR) 2015-05-20 — — 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 (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-20160218298-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT CONTAINING SAME ESR1, ERCC1, NFE2L2 MEN1 1640/4885KMT2A 478/4885RAB9A 3051/4885
US-20150162543-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT CONTAINING SAME ESR1, ERCC1, NFE2L2 MEN1 1640/4885KMT2A 478/4885RAB9A 3051/4885

“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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