Sugi Predict

Sugi Predict / Compounds / SCHEMBL21207232

SCHEMBL21207232

SCHEMBL21207232

c1ccc(-c2c3ccccc3c(-c3cc(-c4ccc5cc(N(c6ccccc6)c6ccccc6)ccc5c4)cc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c3)c3ccccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 9/20 0.38
▸ ESR2 Q92731 8/20 0.38
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ HSD17B1 P14061 2/20 0.36
▸ HSD17B2 P37059 2/20 0.36
▸ CYP2B6 P20813 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ ACHE P22303 2/20 0.33
▸ CYP11B1 P15538 2/20 0.33
▸ CYP11B2 P19099 2/20 0.33
▸ ACMSD Q8TDX5 1/20 0.33

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
SCHEMBL25772080 0.94 ESR1 (0.38) ESR1ESR2CYP1A2CYP3A4CYP2D6
SCHEMBL10063992 0.92 ESR1 (0.40) ESR1ESR2CYP1A2CYP3A4CYP2D6
SCHEMBL14505921 0.92 ESR1 (0.40) ESR1ESR2CYP1A2CYP3A4CYP2D6
SCHEMBL10064010 0.92 ESR1 (0.42) ESR1ESR2CYP1A2CYP3A4CYP2D6
SCHEMBL9963803 0.91 ESR1 (0.40) ESR1ESR2CYP1A2CYP3A4CYP2D6
SCHEMBL25772065 0.91 ESR1 (0.41) ESR1ESR2CYP1A2CYP3A4CYP2D6
SCHEMBL16805208 0.91 ALDH1A1 (0.38) ESR1ESR2CYP1A2CYP3A4CYP2D6
SCHEMBL25778342 0.90 ESR1 (0.38) ESR1ESR2CYP1A2CYP3A4CYP2D6
SCHEMBL10063955 0.89 ESR1 (0.44) ESR1ESR2CYP1A2CYP3A4CYP2D6
SCHEMBL10063979 0.89 ESR1 (0.44) ESR1ESR2CYP1A2CYP3A4CYP2D6

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 3 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

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 ESR1 537/4885ESR2 1070/4885CYP1A2 236/4885
US-20200235297-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MONOAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLC18A2, SLC18A1, MAOA ESR1 537/4885ESR2 1070/4885CYP1A2 236/4885

“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.