SCHEMBL6706301

SCHEMBL6706301

O=Cc1cc2ccccc2c(-c2c(-c3ccccc3)ccc3ccccc23)c1O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 11/20 0.49
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
MPI P34949 1/20 0.43
GPR84 Q9NQS5 3/20 0.43
SOS1 Q07889 1/20 0.38
RECQL P46063 1/20 0.38
WDR5 P61964 1/20 0.37

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
SCHEMBL27829828 0.86 MAPT (0.44) ERN1MEN1KMT2AKDM4EMAPT
SCHEMBL2943970 0.85 ERN1 (0.63) ERN1MEN1KMT2AMAPT
SCHEMBL30071644 0.85 ERN1 (0.63) ERN1MEN1KMT2AMAPT
SCHEMBL31152504 0.85 ERN1 (0.63) ERN1MEN1KMT2AMAPT
SCHEMBL30539187 0.82 MEN1 (0.55) ERN1MEN1KMT2AKDM4EMAPT
SCHEMBL3416460 0.82 MEN1 (0.55) ERN1MEN1KMT2AKDM4EMAPT
SCHEMBL12961715 0.81 ERN1 (0.52) ERN1MEN1KMT2AMAPTALDH1A1
SCHEMBL7638502 0.80 ERN1 (0.52) ERN1MEN1KMT2AKDM4EMAPT
SCHEMBL7633196 0.80 KMT2A (0.50) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL7633195 0.80 KMT2A (0.50) MEN1KMT2AKDM4EMAPTALDH1A1

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
JP-10330389-A None JP disclosed
WO-2011007877-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE EPOXY COMPOUND, LIGAND USED IN THE METHOD, COMPLEX, METHOD FOR PRODUCING THE LIGAND, AND METHOD FOR PRODUCING THE COMPLEX 日産化学工業株式会社 (JP) 2011-01-20 WO disclosed
WO-2010029950-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE EPOXY COMPOUND AND OPTICALLY ACTIVE SULFOXIDE COMPOUND, LIGAND AND COMPLEX FOR USE IN THE PROCESS, AND PROCESS FOR PRODUCING THE COMPLEX 日産化学工業株式会社 (JP) 2010-03-18 WO disclosed
US-6784302-B2 HIGHER ENANTIOMERIC EXCESS BY USING A SPECIFIED ZIRCONIUM (SALEN) COMPLEX AS CATALYST TO CONDUCT A BAEYER-VILLIGER REACTION OF A CYCLIC KETONE; OXIDATION USING A HYDROGEN PEROXIDE OXIDIZER TO PRODUCE CYCLIC ESTERS KYUSHU UNIVERSITY (JP) 2004-08-31 US disclosed
US-20040010152-A1 Method of producing optically active lactone compound and complex used in the method KYUSHU UNIVERSITY (JP) 2004-01-15 US disclosed
EP-1352908-A1 Method of producing optically active lactone compound and complex used in the method KYUSHU UNIVERSITY (JP) 2003-10-15 EP disclosed
US-20020188123-A1 Polydentate asymmetric ligands based on binaphthyl DEGUSSA AG (DE) 2002-12-12 US disclosed
EP-1256570-A1 Polydentate asymmetric ligands based on biphenyl Degussa AG (DE) 2002-11-13 EP disclosed
JP-H10330389-A OPTICALLY ACTIVE CHROMIUM COMPLEX AND ASYMMETRIC EPOXIDATION REACTION NISSAN CHEM IND LTD 1998-12-15 JP 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-20040010152-A1 Method of producing optically active lactone compound and complex used in the method CYC1, CYP11B1, CYP17A1 ERN1 1043/4885MEN1 1001/4885KMT2A 2709/4885
US-20020188123-A1 Polydentate asymmetric ligands based on binaphthyl MT-ND4L, DNM1L, GNE ERN1 3196/4885MEN1 3184/4885KMT2A 1238/4885

“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.