SCHEMBL17969959

SCHEMBL17969959

c1ccc(-c2ccc(-c3ccc(-c4cc(-c5ccncc5)nc(-c5cccc6c(-c7nc(-c8ccncc8)cc(-c8ccc(-c9ccc(-c%10ccccc%10)cc9)cc8)n7)cccc56)n4)cc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.52
▸ MAPT P10636 7/20 0.51
▸ ALDH1A1 P00352 6/20 0.51
▸ KDM4E B2RXH2 6/20 0.51
▸ HPGD P15428 5/20 0.51
▸ KMT2A Q03164 6/20 0.50
▸ MEN1 O00255 5/20 0.50
▸ LMNA P02545 4/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ NOTUM Q6P988 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ SQOR Q9Y6N5 1/20 0.47
▸ NTSR1 P30989 1/20 0.46
▸ GSK3B P49841 1/20 0.45
▸ PIK3CA P42336 1/20 0.45
▸ CDC7 O00311 1/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45

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
SCHEMBL17969957 1.00 DHODH (0.52) DHODHMAPTALDH1A1KDM4EHPGD
SCHEMBL17969926 0.97 ALDH1A1 (0.54) DHODHMAPTALDH1A1KDM4EHPGD
SCHEMBL17970013 0.91 MEN1 (0.53) DHODHMAPTALDH1A1KDM4EHPGD
SCHEMBL19168355 0.91 ALDH1A1 (0.48) DHODHMAPTALDH1A1KDM4EHPGD
SCHEMBL17969953 0.91 MEN1 (0.53) DHODHMAPTALDH1A1KDM4EHPGD
SCHEMBL17969939 0.91 MEN1 (0.53) DHODHMAPTALDH1A1KDM4EHPGD
SCHEMBL17969943 0.90 MAPT (0.52) DHODHMAPTALDH1A1KDM4EHPGD
SCHEMBL17970034 0.90 MAPT (0.51) DHODHMAPTALDH1A1KDM4EHPGD
SCHEMBL17969948 0.90 MAPT (0.52) DHODHMAPTALDH1A1KDM4EHPGD
SCHEMBL17970036 0.90 MAPT (0.52) DHODHMAPTALDH1A1KDM4EHPGD

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 DHODH 2837/4885MAPT 1806/4885ALDH1A1 1790/4885

“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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