SCHEMBL29831799

SCHEMBL29831799

c1ccc2c(c1)cc(-c1ccc(-c3ncc(-c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)cn3)cc1)c1ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.40
▸ NPC1 O15118 7/20 0.38
▸ RAB9A P51151 7/20 0.38
▸ SMN1; SMN2 Q16637 5/20 0.38
▸ NFKB1 P19838 2/20 0.38
▸ NFKB2 Q00653 2/20 0.38
▸ RELA Q04206 2/20 0.38
▸ HCRTR1 O43613 1/20 0.38
▸ AHR P35869 2/20 0.37
▸ MMP12 P39900 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ MAPT P10636 5/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ HPGD P15428 4/20 0.36
▸ GRM4 Q14833 1/20 0.36
▸ ATM Q13315 1/20 0.34
▸ LMNA P02545 2/20 0.34

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
SCHEMBL24909994 1.00 CYP11B1 (0.40) CYP11B1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL29832043 0.85 NPC1 (0.52) CYP11B1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL24910261 0.85 NPC1 (0.52) CYP11B1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL23945065 0.84 CYP11B1 (0.43) CYP11B1NPC1RAB9ASMN1; SMN2HCRTR1
SCHEMBL29831682 0.84 NPC1 (0.45) CYP11B1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL26124152 0.84 NPC1 (0.45) CYP11B1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL15501317 0.84 KMT2A (0.41) CYP11B1NPC1RAB9ASMN1; SMN2HCRTR1
SCHEMBL22141168 0.82 AHR (0.49) CYP11B1NPC1RAB9ASMN1; SMN2HCRTR1
SCHEMBL23283873 0.80 CHEK2 (0.37) CYP11B1NPC1RAB9ASMN1; SMN2HCRTR1
SCHEMBL12037058 0.80 ESR1 (0.42) CYP11B1HCRTR1AHRMMP12MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240049595-A1 HETEROCYCLIC COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE, AND ELECTRONIC APPARATUS HODOGAYA CHEMICAL CO., LTD. (JP) 2024-02-08 — — US disclosed
EP-4257585-A1 HETEROCYCLIC COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE Hodogaya Chemical Co., Ltd. (JP) 2023-10-11 — — EP disclosed
CN-116507612-A Heterocyclic compound, organic electroluminescent element, and electronic device 保土谷化学工业株式会社 2023-07-28 — — CN disclosed
WO-2022118910-A1 HETEROCYCLIC COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 保土谷化学工業株式会社 2022-06-09 — — WO 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-20240049595-A1 HETEROCYCLIC COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE, AND ELECTRONIC APPARATUS LAGE3, EED, EZH1 CYP11B1 4152/4885NPC1 2299/4885RAB9A 1592/4885

“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.

Send feedback