SCHEMBL4624024

SCHEMBL4624024

CCC(=O)OC([Mg]Br)C(O)CO

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL10623847 0.81 MEN1 (0.31) MEN1CYP2C19RECQLKMT2AMAPT
SCHEMBL5847222 0.76 MEN1 (0.34) MEN1CYP2C19RECQLKMT2AMAPT
SCHEMBL9698326 0.75 MEN1 (0.33) MEN1CYP2C19RECQLKMT2AMAPT
SCHEMBL18877228 0.74 MEN1 (0.35) MEN1CYP2C19RECQLKMT2AMAPT
SCHEMBL10500851 0.71 MEN1 (0.33) MEN1CYP2C19RECQLKMT2AMAPT
SCHEMBL12475543 0.71 MEN1 (0.33) MEN1CYP2C19RECQLKMT2AMAPT
SCHEMBL9638912 0.71 MAPT (0.36) MEN1CYP2C19RECQLKMT2AMAPT
SCHEMBL4616283 0.71 MEN1 (0.33) MEN1CYP2C19RECQLKMT2AMAPT
SCHEMBL18877226 0.69 LMNA (0.39) MEN1CYP2C19RECQLKMT2AMAPT
SCHEMBL7528074 0.69 MEN1 (0.33) MEN1CYP2C19RECQLKMT2AMAPT

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0135400-B1 ESTRADIENE DERIVATIVES LABELLED WITH TRITIUM, THEIR PREPARATION AND INTERMEDIATES FOR THEIR PREPARATION, AND THEIR UTILIZATION IN THE STUDY AND IN THE DETERMINATION OF STEROIDS IN BIOLOGICAL FLUIDS ROUSSEL-UCLAF (FR) 1988-06-01 EP claimed
EP-0102531-B1 PROCESS FOR THE PREPARATION OF COMPOUNDS OF THE MEGASTIGMAN-SERIES, AND INTERMEDIATES FOR THIS SYNTHESIS BASF Aktiengesellschaft (DE) 1988-03-02 EP claimed
EP-0102531-A2 Process for the preparation of compounds of the megastigman-series, and intermediates for this synthesis BASF Aktiengesellschaft (DE) 1984-03-14 EP claimed
EP-1365768-B1 USE OF ER-BETA SELECTIVE ANTAGONISTS AS CONTRACEPTIVES BAYER SCHERING PHARMA AG (DE) 2008-05-07 EP disclosed
US-20070191334-A1 Tricyclic imidazopyridines ALTANA PHARMA AG (DE) 2007-08-16 US disclosed
EP-1735318-A2 7H-8,9-DIHYDRO-PYRANO(2,3-C)IMIDAZO(1,2A)PYRIDINE DERIVATIVES AND THEIR USE AS GASTRIC ACID SECRETION INHIBITORS Altana Pharma AG (DE) 2006-12-27 EP disclosed
WO-2005090358-A2 7H-8,9-DIHYDRO-PYRANO (2,3-C) IMIDAZO (1,2A) PYRIDINE DERIVATIVES AND THEIR USE AS GASTRIC ACID SECRETION INHIBITORS ALTANA PHARMA AG (DE) 2005-09-29 WO disclosed
US-20050020695-A1 Use of ERbeta-selective ligands for regulating fertility and compounds useful therefor BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-01-27 US disclosed
US-6794409-B2 HOMOSTEROIDS SUCH AS 17-CHLORO-17A-ALPHA-ETHINYL-17A, 18A-DIHOMO-ESTRA-1,3,5(10),16-TETRAENE-3,17A BETA-DIOL; WITHOUT USE OF PROGESTIN; CONTRACEPTION; FOR TREATMENT OF PROLIFERATIVE DISEASES OF THE OVARY SCHERING AG (DE) 2004-09-21 US disclosed
EP-1365768-A2 USE OF ERSS-SELECTIVE LIGANDS FOR REGULATING FERTILITY AND COMPOUNDS USEFUL THEREFORE Schering Aktiengesellschaft (DE) 2003-12-03 EP disclosed
US-20030083377-A1 Use of ERbeta-selective ligands for regulating fertility and compounds useful therefor SCHERING AKTIENGESELLSCHAFT (DE) 2003-05-01 US disclosed
EP-0019247-B1 16-ALPHA-ALKYL STEROIDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1981-11-25 EP disclosed
EP-0019247-A1 16-Alpha-alkyl steroids, process for their preparation and pharmaceutical compositions containing them SCHERING AKTIENGESELLSCHAFT (DE) 1980-11-26 EP disclosed
EP-0015436-A1 Process for the stereospecific preparation of compounds of the vitamin K1- and K2-series, as well as new starting materials for the process F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1980-09-17 EP disclosed
US-4016269-A 17α-HYDROXY-1,3,5(10),15-ESTRATETRAENES AND PROCESS FOR THEIR PRODUCTION SCHERING AKTIENGESELLSCHAFT (DT) 1977-04-05 US disclosed
US-3994937-A ANABOLIC, ANDROGENIC, GESTAGENIC SCHERING AKTIENGESELLSCHAFT (DT) 1976-11-30 US disclosed
US-3966713-A 11β-FLUOROANDROSTENES SCHERING AKTIENGESELLSCHAFT (DT) 1976-06-29 US disclosed
US-3960841-A ESTROGENIC DEFICIENCY TREATMENT SCHERING AKTIENGESELLSCHAFT (DT) 1976-06-01 US disclosed
US-3951958-A VAGINOTROPIC SCHERING AKTIENGESELLSCHAFT (DT) 1976-04-20 US disclosed
US-3951959-A VAGINOTROPIC SCHERING AKTIENGESELLSCHAFT (DT) 1976-04-20 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-20030083377-A1 Use of ERbeta-selective ligands for regulating fertility and compounds useful therefor ESRRA, ESRRB, ESR2 MEN1 3807/4885CYP2C19 3872/4885RECQL 4258/4885
US-20050020695-A1 Use of ERbeta-selective ligands for regulating fertility and compounds useful therefor ESRRA, ESR2, ESRRB MEN1 3866/4885CYP2C19 3872/4885RECQL 4309/4885
US-20070191334-A1 Tricyclic imidazopyridines GIPR, SLC10A2, MLNR MEN1 1765/4885CYP2C19 38/4885RECQL 3202/4885

“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.