SCHEMBL23406367

SCHEMBL23406367

CC(C)(C)c1ccc(-c2ccc(N)c(Cl)c2N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.44
▸ RAB9A P51151 6/20 0.44
▸ TP53 P04637 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ DGAT1 O75907 2/20 0.42
▸ S1PR1 P21453 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ KIF11 P52732 3/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MITF O75030 1/20 0.37
▸ HSD17B2 P37059 2/20 0.36
▸ MAPT P10636 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ RECQL P46063 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ BLM P54132 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
SCHEMBL28544670 0.80 ALDH1A1 (0.41) NPC1RAB9ATP53LMNASMN1; SMN2
SCHEMBL1092188 0.75 NPC1 (0.50) NPC1RAB9ATP53LMNASMN1; SMN2
SCHEMBL28644537 0.75 ALDH1A1 (0.48) NPC1RAB9ALMNASMN1; SMN2KDM4E
SCHEMBL28174508 0.74 S1PR1 (0.51) NPC1RAB9ATP53LMNASMN1; SMN2
SCHEMBL29911234 0.73 NPC1 (0.49) NPC1RAB9ATP53LMNASMN1; SMN2
SCHEMBL23432313 0.73 NPC1 (0.49) NPC1RAB9ATP53LMNASMN1; SMN2
SCHEMBL28595835 0.73 S1PR1 (0.46) NPC1RAB9ATP53LMNASMN1; SMN2
SCHEMBL28349136 0.72 NPC1 (0.44) NPC1RAB9ATP53LMNASMN1; SMN2
SCHEMBL22231981 0.71 POLB (0.44) NPC1RAB9ATP53LMNASMN1; SMN2
SCHEMBL31047817 0.71 NPC1 (0.50) NPC1RAB9ATP53LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112585145-B Polycyclic compound and organic light emitting device including the same 株式会社LG化学 2023-09-29 — — CN disclosed
CN-113853694-B organic light emitting device 株式会社LG化学 2023-09-05 — — CN disclosed
CN-110719914-B Polycyclic aromatic compound, material for organic element, organic electroluminescent element, display device, and lighting device 学校法人关西学院 2023-07-28 — — CN disclosed
CN-114539300-A Light emitting device and polycyclic compound for light emitting device 三星显示有限公司 2022-05-27 — — CN disclosed
US-20210167288-A1 POLYCYCLIC AROMATIC COMPOUND KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2021-06-03 — — US disclosed
CN-109476682-B Compound and organic light-emitting element comprising same 株式会社LG化学 2021-05-14 — — CN disclosed
CN-110719914-A Polycyclic aromatic compound 学校法人关西学院 2020-01-21 — — CN disclosed
CN-109476682-A Compound and organic light-emitting element comprising same 株式会社LG化学 2019-03-15 — — CN 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-20210167288-A1 POLYCYCLIC AROMATIC COMPOUND ARNT, TYR, AHR NPC1 2691/4885RAB9A 4272/4885TP53 1647/4885

“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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