SCHEMBL4764216

SCHEMBL4764216

CCOC(=O)CC(O)c1ccc(Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
LMNA P02545 3/20 0.47
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MEN1 O00255 1/20 0.47
S1PR4 O95977 1/20 0.47
S1PR1 P21453 1/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
HTT P42858 2/20 0.44
HPGD P15428 1/20 0.44
GAA P10253 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
TSHR P16473 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
SCHEMBL4497426 0.85 KMT2A (0.49) MAPTLMNAKMT2AALDH1A1KDM4E
SCHEMBL4497421 0.85 KMT2A (0.49) MAPTLMNAKMT2AALDH1A1KDM4E
SCHEMBL6264598 0.85 F2 (0.50) MAPTLMNAKMT2ANPSR1MEN1
SCHEMBL30935351 0.83 ALDH1A1 (0.44) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL22230670 0.83 KMT2A (0.47) MAPTLMNAKMT2ANPSR1MEN1
SCHEMBL31601149 0.83 KMT2A (0.47) MAPTLMNAKMT2ANPSR1MEN1
SCHEMBL8771047 0.83 GPR35 (0.39) MAPTLMNAKMT2ANPSR1MEN1
SCHEMBL1504155 0.83 ALDH1A1 (0.44) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL15785278 0.83 KMT2A (0.47) MAPTLMNAKMT2ANPSR1MEN1
SCHEMBL20028731 0.83 MAPT (0.47) MAPTLMNAKMT2ANPSR1MEN1

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
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP disclosed
EP-0451668-B1 Process for the production of optically active alkyl 3-aryl-3-hydroxypropionates CHISSO CORP (JP) 1997-08-13 EP disclosed
US-5202457-A Enzyme catalyzed transesterification, resolution of optical active alkyl 3-aryl-3-hydroxypropionate CHISSO CORPORATION (JP) 1993-04-13 US disclosed
EP-0451668-A2 Optically active alkyl 3-aryl-3-hydroxypropionates and a method for producing thereof CHISSO CORPORATION (JP) 1991-10-16 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 (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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 MAPT 1892/4885LMNA 1057/4885KMT2A 1240/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 MAPT 3756/4885LMNA 1917/4885KMT2A 1300/4885

“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.