SCHEMBL514174

SCHEMBL514174

CCC(=O)c1ccc(OC)c(OC)c1Br

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
HMGCR P04035 1/20 0.47
PTPN1 P18031 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
HPGDS O60760 1/20 0.43
PDE4D Q08499 2/20 0.43
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL28193844 0.87 HMGCR (0.47) MAPTTDP1HMGCRPTPN1SMN1; SMN2
SCHEMBL6717832 0.84 PDE4D (0.56) MAPTTDP1HMGCRSMN1; SMN2LMNA
SCHEMBL20007016 0.83 HMGCR (0.56) MAPTHMGCRPTPN1SMN1; SMN2KDM4E
SCHEMBL27605516 0.83 HMGCR (0.47) HMGCRSMN1; SMN2HPGDSKDM4ERAB9A
SCHEMBL27947398 0.82 PTPN1 (0.56) MAPTTDP1PTPN1SMN1; SMN2LMNA
SCHEMBL27435238 0.82 PDE4D (0.51) PDE4DMEN1KMT2A
SCHEMBL27982790 0.81 MAPT (0.67) MAPTTDP1HMGCRSMN1; SMN2LMNA
SCHEMBL2337418 0.81 MAPT (0.66) MAPTTDP1PTPN1SMN1; SMN2KDM4E
SCHEMBL11102155 0.81 MAPT (0.54) MAPTTDP1PTPN1SMN1; SMN2LMNA
SCHEMBL24069248 0.80 PDE4D (0.49) MAPTTDP1HMGCRSMN1; SMN2LMNA

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-102146026-B Protosappanin A derivative and preparation method and application thereof UNIV HARBIN MEDICAL 2013-04-24 CN disclosed
US-20120029216-A1 SCALABLE SYNTHETIC PROCESS FOR MAKING TERAMEPROCOL ERIMOS PHARMACEUTICALS LLC (US) 2012-02-02 US disclosed
CN-102171173-A Scalable synthetic process for making meso-1,4 - bis (3,4 - dimethoxyphenyl)-dimethyl butane ERIMOS PHARMACEUTICALS LLC 2011-08-31 CN disclosed
CN-102146026-A Protosappanin A derivative and preparation method and application thereof UNIV HARBIN MEDICAL 2011-08-10 CN disclosed
EP-2318347-A2 SCALABLE SYNTHETIC PROCESS FOR MAKING TERAMEPROCOL Erimos Pharmaceuticals LLC (US) 2011-05-11 EP disclosed
WO-2010014936-A2 SCALABLE SYNTHETIC PROCESS FOR MAKING TERAMEPROCOL ERIMOS PHARMACEUTICALS LLC (US) 2010-02-04 WO disclosed
EP-0290442-A4 PHARMACOLOGICALLY ACTIVE COMPOUNDS AND MIXTURES THEREOF, ORGANIC COMPOSITIONS AND METAL SALTS. CHEMEX PHARMACEUTICALS INC (US) 1990-07-03 EP disclosed
EP-0290442-A1 PHARMACOLOGICALLY ACTIVE COMPOUNDS AND MIXTURES THEREOF, ORGANIC COMPOSITIONS AND METAL SALTS CHEMEX PHARMACEUTICALS, INC. (US) 1988-11-17 EP disclosed
WO-1988003806-A1 PHARMACOLOGICALLY ACTIVE COMPOSITIONS OF CATECHOLIC BUTANES WITH ZINC CHEMEX PHARMACEUTICALS, INC. (US) 1988-06-02 WO disclosed
WO-1988003805-A1 PHARMACOLOGICALLY ACTIVE COMPOUNDS AND MIXTURES THEREOF, ORGANIC COMPOSITIONS AND METAL SALTS CHEMEX PHARMACEUTICALS, INC. (US) 1988-06-02 WO 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-20120029216-A1 SCALABLE SYNTHETIC PROCESS FOR MAKING TERAMEPROCOL PTGIS, PTGES, POR MAPT 4613/4885TDP1 3529/4885HMGCR 114/4885

“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.