SCHEMBL3783734

SCHEMBL3783734

[c]1ccc2cc(-c3cc4ccccc4c4ccccc34)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.41
GSTP1 P09211 1/20 0.41
GPR84 Q9NQS5 1/20 0.40
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 3/20 0.38
HIF1A Q16665 2/20 0.38
CYP1B1 Q16678 1/20 0.38
HPRT1 P00492 1/20 0.36
TSHR P16473 2/20 0.36
HPGD P15428 2/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP11B2 P19099 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP2C19 P33261 1/20 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
SCHEMBL3785955 0.94 CYP11B1 (0.41) CYP11B1GSTP1GPR84ALDH1A1HSD17B10
SCHEMBL3775172 0.87 ALDH1A1 (0.45) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL2271527 0.84 MCL1 (0.43) CYP11B1GSTP1CYP1A2CYP3A4CYP2D6
SCHEMBL20774045 0.83 CYP1A2 (0.40) CYP11B1GSTP1GPR84ALDH1A1HSD17B10
SCHEMBL28270535 0.82 GSTP1 (0.57) CYP11B1GSTP1GPR84ALDH1A1HSD17B10
SCHEMBL2271000 0.81 ESR1 (0.50) CYP11B1GSTP1ALDH1A1HPGDCYP1A2
SCHEMBL3780376 0.80 ALDH1A1 (0.45) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL9957834 0.80 CYP11B1 (0.42) CYP11B1GPR84ALDH1A1HSD17B10HPGD
SCHEMBL2452660 0.78 GSTP1 (0.40) GSTP1ALDH1A1HSD17B10CYP1B1CYP1A2
SCHEMBL2267781 0.77 MCL1 (0.43) CYP11B1GSTP1GPR84CYP1A2CYP3A4

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 10 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
CN-101960635-B Organic electroluminescent element and material for organic electroluminescent element IDEMITSU KOSAN CO 2013-07-24 CN disclosed
CN-101960635-A Organic electroluminescent element and material for organic electroluminescent element IDEMITSU KOSAN CO 2011-01-26 CN 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 CYP11B1 796/4885GSTP1 215/4885GPR84 2333/4885
US-20100327230-A1 PHENANTHRENE DERIVATIVE, AND MATERIAL FOR ORGANIC EL ELEMENT LEF1, AR, NR0B1 CYP11B1 630/4885GSTP1 1702/4885GPR84 3277/4885
US-11072573-B2 Binaphthyl compounds UACA, C9, C1S CYP11B1 796/4885GSTP1 215/4885GPR84 2333/4885

“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.