SCHEMBL17969939

SCHEMBL17969939

c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cccc5c(-c6nc(-c7ccccc7)cc(-c7ccc(-c8ccccc8)cc7)n6)cccc45)n3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.53
▸ KMT2A Q03164 10/20 0.53
▸ MAPT P10636 7/20 0.53
▸ ALDH1A1 P00352 5/20 0.53
▸ HPGD P15428 5/20 0.53
▸ NTSR1 P30989 1/20 0.53
▸ LMNA P02545 3/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ ADORA2A P29274 2/20 0.50
▸ ADORA1 P30542 2/20 0.50
▸ GLA P06280 1/20 0.50
▸ DHODH Q02127 1/20 0.49
▸ ACHE P22303 1/20 0.47
▸ RAB9A P51151 1/20 0.46
▸ ACACA Q13085 1/20 0.46
▸ TDP1 Q9NUW8 3/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46

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
SCHEMBL17969953 1.00 MEN1 (0.53) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL17970013 1.00 MEN1 (0.53) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL17970009 0.96 MEN1 (0.54) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL10051315 0.94 ALDH1A1 (0.50) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL17969959 0.91 DHODH (0.52) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL17969957 0.91 DHODH (0.52) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL19397405 0.91 ALDH1A1 (0.47) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL19397409 0.91 ENPP3 (0.51) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL18732401 0.90 MAPT (0.53) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL19009496 0.90 MEN1 (0.52) MEN1KMT2AMAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9954181-B2 Hetero-cyclic compound and organic light emitting device comprising the same LG CHEM, LTD. (KR) 2018-04-24 — — US disclosed
US-9954181-B2 Hetero-cyclic compound and organic light emitting device comprising the same LG CHEM, LTD. (KR) 2018-04-24 — — US disclosed
US-20160233430-A1 HETERO-CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME (As Amended) LG CHEM, LTD. (KR) 2016-08-11 — — US disclosed
US-20160233430-A1 HETERO-CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME (As Amended) LG CHEM, LTD. (KR) 2016-08-11 — — US disclosed
EP-3050879-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMTTING ELEMENT INCLUDING SAME LG Chem, Ltd. (KR) 2016-08-03 — — 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-20160233430-A1 HETERO-CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME (As Amended) CRY1, CRY2, PER2 MEN1 1048/4885KMT2A 986/4885MAPT 1806/4885

“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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