SCHEMBL22915988

SCHEMBL22915988

c1ccc2cc(-n3c4ccccc4c4cc5[nH]c6ccccc6c5cc43)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.49
▸ TOP2A P11388 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ GPR3 P46089 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ ATM Q13315 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KIF11 P52732 11/20 0.37
▸ MAPT P10636 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PMM2 O15305 1/20 0.36
▸ MPI P34949 1/20 0.36
▸ PHOSPHO1 Q8TCT1 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ HTR5A P47898 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
SCHEMBL28641163 0.96 AHR (0.53) AHRTOP2AALDH1A1HSD17B10GPR3
SCHEMBL31624207 0.95 AHR (0.45) AHRTOP2AALDH1A1HSD17B10GPR3
SCHEMBL18253538 0.95 AHR (0.45) AHRTOP2AALDH1A1HSD17B10GPR3
SCHEMBL19320152 0.88 AHR (0.40) AHRTOP2AALDH1A1HSD17B10GPR3
SCHEMBL25006958 0.87 AHR (0.44) AHRTOP2AALDH1A1HSD17B10GPR3
SCHEMBL29993138 0.87 HTR2B (0.40) AHRALDH1A1HSD17B10GPR3KDM4E
SCHEMBL17253670 0.87 HTR2B (0.40) AHRALDH1A1HSD17B10GPR3KDM4E
SCHEMBL17759925 0.86 KDM4E (0.40) AHRKDM4EATML3MBTL1HTR2B
SCHEMBL6938289 0.85 KDM4E (0.50) ALDH1A1KDM4EATML3MBTL1HPGD
SCHEMBL23204266 0.85 HTR2B (0.43) AHRTOP2AALDH1A1HSD17B10GPR3

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-20240083916-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2024-03-14 — — US disclosed
EP-4265617-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LT Materials Co., Ltd. (KR) 2023-10-25 — — EP disclosed
EP-4265617-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LT Materials Co., Ltd. (KR) 2023-10-25 — — EP disclosed
EP-3770985-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT NIPPON STEEL Chemical & Material Co., Ltd. (JP) 2021-01-27 — — 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-20240083916-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, CRY2, CYP1A1 AHR 26/4885TOP2A 3242/4885ALDH1A1 6/4885

“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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