Sugi Predict

Sugi Predict / Compounds / SCHEMBL20774337

SCHEMBL20774337

SCHEMBL20774337

[c]1ccc(-c2cc3cccc4ccc5cccc2c5c43)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.47
▸ ERBB2 P04626 1/20 0.47
▸ FYN P06241 1/20 0.47
▸ MAOA P21397 1/20 0.47
▸ ACHE P22303 1/20 0.47
▸ AHR P35869 1/20 0.47
▸ ALDH1A1 P00352 6/20 0.42
▸ HPGD P15428 6/20 0.42
▸ HSD17B10 Q99714 5/20 0.42
▸ THRB P10828 1/20 0.42
▸ TSHR P16473 4/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP1A1 P04798 2/20 0.39
▸ CYP1B1 Q16678 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ MAPK1 P28482 2/20 0.35
▸ CASP1 P29466 2/20 0.35
▸ HIF1A Q16665 2/20 0.35

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
SCHEMBL1335879 0.85 ALDH1A1 (0.44) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL11654321 0.83 CYP1A2 (0.57) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL20773919 0.81 CYP1A2 (0.43) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL20774045 0.81 CYP1A2 (0.40) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL27717676 0.80 CYP1A2 (0.53) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL20774128 0.79 ALDH1A1 (0.48) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL1369573 0.79 ALDH1A1 (0.47) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL14241184 0.79 CYP1A2 (0.47) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL17306808 0.79 CYP1A2 (0.47) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL18317472 0.78 CYP1A2 (0.43) CYP1A2ERBB2FYNMAOAACHE

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-111094223-B binaphthyl compounds 罗伊特化学仪器制造公司 2023-10-27 — — CN disclosed
US-11072573-B2 Binaphthyl compounds REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2021-07-27 — — US disclosed
CN-109311844-B Triazine compound, method for producing same, and organic electroluminescent element containing same as constituent component 东曹株式会社 2021-07-20 — — CN disclosed
US-20200354299-A1 BINAPHTHYL COMPOUNDS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2020-11-12 — — US disclosed
EP-3676239-A1 BINAPHTHYL COMPOUNDS Reuter Chemische Apparatenbau e.K. (DE) 2020-07-08 — — EP disclosed
CN-111094223-A Binaphthyl compounds 罗伊特化学仪器制造公司 2020-05-01 — — CN disclosed
WO-2019043060-A1 BINAPHTHYL COMPOUNDS REUTER CHEMISCHE APPARATEBAU KG (DE) 2019-03-07 — — WO disclosed
CN-106573912-A Triazine compound, method for producing same, and application for same 东曹株式会社 2017-04-19 — — 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 (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-20200354299-A1 BINAPHTHYL COMPOUNDS UACA, C9, C1S CYP1A2 333/4885ERBB2 4207/4885FYN 3191/4885
US-11072573-B2 Binaphthyl compounds UACA, C9, C1S CYP1A2 333/4885ERBB2 4207/4885FYN 3191/4885

“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.