SCHEMBL3922384

SCHEMBL3922384

Oc1c(-c2ccccc2)cc2ccccc2c1-c1cc(-c2ccccc2)cc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
MPI P34949 1/20 0.53
GPR84 Q9NQS5 9/20 0.49
PTPN1 P18031 1/20 0.46
HSD17B1 P14061 1/20 0.45
HSD17B2 P37059 1/20 0.45
RECQL P46063 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
NQO1 P15559 1/20 0.41
ALOX5 P09917 2/20 0.40
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 1/20 0.39
BACE1 P56817 1/20 0.38

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
SCHEMBL29805130 1.00 MEN1 (0.53) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL31655459 0.95 MEN1 (0.47) MEN1KMT2AKDM4EALDH1A1MAPT
Phosphonic Acid SCHEMBL30415639 0.93 GPR84 (0.47) MEN1KMT2AKDM4EALDH1A1MAPT
Phosphonic Acid SCHEMBL30414887 0.92 GPR84 (0.49) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL3916569 0.89 ESR1 (0.49) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL14327785 0.89 GPR84 (0.50) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL29510114 0.86 MEN1 (0.58) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL30275493 0.86 MEN1 (0.58) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL3262604 0.86 MEN1 (0.58) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL2528988 0.85 MEN1 (0.54) MEN1KMT2AKDM4EALDH1A1MAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108658774-B Synthesis method of novel chiral nitrobinaphthol and derivatives thereof 中国科学院青岛生物能源与过程研究所 2020-11-27 CN claimed
CN-108658774-B Synthesis method of novel chiral nitrobinaphthol and derivatives thereof 中国科学院青岛生物能源与过程研究所 2020-11-27 CN disclosed
CN-108658774-A A kind of synthetic method of novel chiral nitro dinaphthol and its derivative 中国科学院青岛生物能源与过程研究所 2018-10-16 CN disclosed
US-7517828-B2 Chiral broensted acid catalyst for asymmetric synthesis and method of asymmetric synthesis with the catalyst TOAGOSEI CO., LTD. (JP) 2009-04-14 US disclosed
US-20060276329-A1 Asymmetric synthesis catalyst based on chiral brsnsted acid and method of asymmetric synthesis with the catalyst TOAGOSEI CO., LTD. (JP) 2006-12-07 US disclosed
US-6855657-B2 Ortho substituted chiral phosphines and phosphinites and their use in asymmetric catalytic reactions THE PENN STATE RESEARCH FOUNDATION (US) 2005-02-15 US disclosed
US-20040068126-A1 Ortho substituted chiral phosphines and phosphinites and their use in asymmetric catalytic reactions THE PENN STATE RESEARCH FOUNDATION 2004-04-08 US disclosed
US-6653485-B2 Particularly effective in Ru-catalyzed asymmetric hydrogenation of beta-ketoesters to beta-hydroxyesters and ruthenium-catalyzed asymmetric hydrogenation of enamides to beta amino acids; catalyst selectivity THE PENN STATE RESEARCH FOUNDATION 2003-11-25 US disclosed
US-20020128501-A1 Particularly effective in Ru-catalyzed asymmetric hydrogenation of beta-ketoesters to beta-hydroxyesters and ruthenium-catalyzed asymmetric hydrogenation of enamides to beta amino acids; catalyst selectivity THE PENN STATE RESEARCH FOUNDATION 2002-09-12 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-20040068126-A1 Ortho substituted chiral phosphines and phosphinites and their use in asymmetric catalytic reactions BCKDK, PDK3, HCK MEN1 1900/4885KMT2A 975/4885KDM4E 2838/4885
US-20020128501-A1 Particularly effective in Ru-catalyzed asymmetric hydrogenation of beta-ketoesters to beta-hydroxyesters and ruthenium-catalyzed asymmetric hydrogenation of enamides to beta amino acids; catalyst selectivity HRH4, BCKDK, HRH3 MEN1 2086/4885KMT2A 1234/4885KDM4E 2902/4885
US-20060276329-A1 Asymmetric synthesis catalyst based on chiral brsnsted acid and method of asymmetric synthesis with the catalyst LSS, COASY, FASN MEN1 169/4885KMT2A 2039/4885KDM4E 4508/4885

“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.