SCHEMBL7127925

SCHEMBL7127925

CCOC(=O)C1CC(=O)CC1=O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALOX12 P18054 1/20 0.49
TLR4 O00206 1/20 0.46
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL3196831 0.84 ALDH1A1 (0.56) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL1666444 0.84 ALDH1A1 (0.49) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL4471152 0.82 ALDH1A1 (0.47) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL23796781 0.81 ALDH1A1 (0.53) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL27746515 0.78 GAA (0.50) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL4846520 0.77 ALDH1A1 (0.56) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL6903800 0.77 ALDH1A1 (0.48) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL8502739 0.76 ALDH1A1 (0.54) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL28420809 0.75 ALDH1A1 (0.56) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL5897623 0.75 MEN1 (0.48) ALDH1A1KMT2AMAPTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912467-B1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE SA (FR) 2002-04-24 EP claimed
EP-0912467-A1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE (FR) 1999-05-06 EP claimed
WO-1998000375-A1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE (FR) 1998-01-08 WO claimed
US-20030225297-A1 Process for preparing chiral diphosphines RHODIA CHIMIE 2003-12-04 US disclosed
US-6646106-B1 Polymerizing chiral diphosphine having a C2 axis of symmetry, with one or several polymerizable monomers, said chiral diphosphine consisting of a chiral body bearing two identical functional groups RHODIA CHIMIE (FR) 2003-11-11 US disclosed
US-6610875-B1 Forming bidentate ligands ofr assymetric catalysts; bromina-ting diaryldiol; esterifying with sulfonic acid; substituting cyano for bromine groups; coupling with a dicyclophosphine RHODIA CHIMIE (FR) 2003-08-26 US disclosed
EP-1161481-B1 OPTICALLY ACTIVE LINEAR POLYMER USED AS LIGAND IN THE PREPARATION OF METALLIC COMPLEXES DESIGNED FOR ASYMMETRIC CATALYSIS RHODIA CHIMIE SA (FR) 2002-12-04 EP disclosed
EP-0912467-B1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE SA (FR) 2002-04-24 EP disclosed
EP-1161481-A1 OPTICALLY ACTIVE LINEAR POLYMER USED AS LIGAND IN THE PREPARATION OF METALLIC COMPLEXES DESIGNED FOR ASYMMETRIC CATALYSIS RHODIA CHIMIE (FR) 2001-12-12 EP disclosed
EP-1153031-A1 METHOD FOR PREPARING CHIRAL DIPHOSPHINES RHODIA CHIMIE (FR) 2001-11-14 EP disclosed
US-6166257-A METAL COMPLEX OF AN OPTICALLY ACTIVE BIS(1-PHOSPHA-2,3-DIPHENYL-4,5-DIMETHYLNORBORNADIENE) RHODIA CHIMIE (FR) 2000-12-26 US disclosed
WO-2000052081-A1 OPTICALLY ACTIVE LINEAR POLYMER USED AS LIGAND IN THE PREPARATION OF METALLIC COMPLEXES DESIGNED FOR ASYMMETRIC CATALYSIS RHODIA CHIMIE (FR) 2000-09-08 WO disclosed
WO-2000049028-A1 METHOD FOR PREPARING CHIRAL DIPHOSPHINES RHODIA CHIMIE (FR) 2000-08-24 WO disclosed
EP-0912467-A1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE (FR) 1999-05-06 EP disclosed
WO-1998000375-A1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE (FR) 1998-01-08 WO disclosed
EP-0297752-B1 PROCESS OF PREPARING OPTICALLY ACTIVE ALCOHOL Takasago International Corporation (JP) 1992-09-16 EP disclosed
US-4916252-A OPTICALLY ACTIVE PHOSPHINE-RUTHENIUM HYDROGENATION CATALYST TAKASAGO INTERNATIONAL CORPORATION (JP) 1990-04-10 US disclosed
EP-0297752-A2 Process of preparing optically active alcohol Takasago International Corporation (JP) 1989-01-04 EP 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 (1 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-20030225297-A1 Process for preparing chiral diphosphines CYP1A1, NR5A1, AR ALDH1A1 964/4885KMT2A 3292/4885MAPT 4315/4885

“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.