SCHEMBL21203436

SCHEMBL21203436

Clc1ccc(-c2ccc3ccc(-c4ccccc4)cc3c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.68
▸ ESR2 Q92731 6/20 0.61
▸ ESR1 P03372 5/20 0.61
▸ KDM4E B2RXH2 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ CYP2A6 P11509 1/20 0.50
▸ CNR1 P21554 2/20 0.49
▸ CTRC Q99895 1/20 0.49
▸ BACE1 P56817 2/20 0.48
▸ HSD17B1 P14061 1/20 0.45
▸ HSD17B2 P37059 1/20 0.45
▸ ALOX5 P09917 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL21203334 0.93 CYP1A2 (0.71) CYP1A2ESR2ESR1KDM4ELMNA
SCHEMBL31458516 0.93 CYP1A2 (0.71) CYP1A2ESR2ESR1KDM4ELMNA
SCHEMBL26566462 0.91 CYP2A6 (0.62) CYP1A2ESR2ESR1KDM4ECYP2A6
SCHEMBL30659437 0.88 CYP2A6 (0.65) CYP1A2ESR2ESR1KDM4ECYP2A6
SCHEMBL30622737 0.88 CYP2A6 (0.65) CYP1A2ESR2ESR1KDM4ECYP2A6
SCHEMBL31690684 0.88 CYP2A6 (0.65) CYP1A2ESR2ESR1KDM4ECYP2A6
SCHEMBL21906405 0.88 CYP2A6 (0.65) CYP1A2ESR2ESR1KDM4ECYP2A6
SCHEMBL11467510 0.88 CYP2A6 (0.65) CYP1A2ESR2ESR1KDM4ECYP2A6
SCHEMBL27511439 0.88 ESR1 (0.74) ESR2ESR1BACE1HSD17B1HSD17B2
SCHEMBL23179154 0.87 CNR1 (0.58) CYP1A2ESR2ESR1CYP2A6CNR1

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
EP-3518303-B1 N-(4-(8-(PHENYL)NAPHTHALEN-2-YL)PHENYL)-N,N'-DI(PHENYL)-AMINE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN ORGANIC ELECTROLUMINESCENCE DEVICES SAMSUNG DISPLAY CO LTD (KR) 2021-10-06 — — EP disclosed
US-20200235297-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MONOAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2020-07-23 — — US disclosed
US-20190237668-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MONOAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-08-01 — — US disclosed
EP-3518303-A1 N-(4-(8-(PHENYL)NAPHTHALEN-2-YL)PHENYL)-N,N'-DI(PHENYL)-AMINE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN ORGANIC ELECTROLUMINESCENCE DEVICES Samsung Display Co., Ltd. (KR) 2019-07-31 — — 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 (2 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-20190237668-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MONOAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLC18A2, SLC18A1, MAOA CYP1A2 236/4885ESR2 1070/4885ESR1 537/4885
US-20200235297-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MONOAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLC18A2, SLC18A1, MAOA CYP1A2 236/4885ESR2 1070/4885ESR1 537/4885

“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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