SCHEMBL3775152

SCHEMBL3775152

[c]1cccc2c(-c3ccc4c(ccc5ccccc54)c3)cccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
HSD17B10 Q99714 4/20 0.40
HIF1A Q16665 2/20 0.40
CYP1B1 Q16678 2/20 0.40
CYP1A2 P05177 3/20 0.39
HPGD P15428 3/20 0.39
MCL1 Q07820 1/20 0.38
ACMSD Q8TDX5 1/20 0.38
HPRT1 P00492 3/20 0.38
TSHR P16473 2/20 0.38
ERBB2 P04626 1/20 0.38
FYN P06241 1/20 0.38
MAOA P21397 1/20 0.38
ACHE P22303 1/20 0.38
AHR P35869 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2A6 P11509 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL20773998 0.92 ALDH1A1 (0.41) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL2273812 0.91 GSTP1 (0.44) CYP1A2MCL1ACMSDEDNRBEDNRA
SCHEMBL3777907 0.91 ALDH1A1 (0.42) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL20774101 0.88 HPRT1 (0.42) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL20774179 0.86 HPRT1 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL20774140 0.85 HPRT1 (0.50) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL28619356 0.84 HPRT1 (0.39) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL20774118 0.83 ALDH1A1 (0.41) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL2267278 0.83 MCL1 (0.44) ALDH1A1HSD17B10CYP1A2MCL1ACMSD
SCHEMBL20774189 0.83 ALDH1A1 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2

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
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
US-8568903-B2 Phenanthrene derivative, and material for organic EL element IDEMITSU KOSAN CO., LTD. (JP) 2013-10-29 US disclosed
US-20100327230-A1 PHENANTHRENE DERIVATIVE, AND MATERIAL FOR ORGANIC EL ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2010-12-30 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 (3 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 ALDH1A1 1476/4885HSD17B10 1245/4885HIF1A 2959/4885
US-20100327230-A1 PHENANTHRENE DERIVATIVE, AND MATERIAL FOR ORGANIC EL ELEMENT LEF1, AR, NR0B1 ALDH1A1 1250/4885HSD17B10 2313/4885HIF1A 1972/4885
US-11072573-B2 Binaphthyl compounds UACA, C9, C1S ALDH1A1 1476/4885HSD17B10 1245/4885HIF1A 2959/4885

“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.