SCHEMBL477534

SCHEMBL477534

OC(c1ccccc1)c1ccccc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.55
DRD1 P21728 1/20 0.55
SGMS2 Q8NHU3 10/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
LIPE Q05469 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALPG P10696 1/20 0.46
PTK2B Q14289 1/20 0.46
HTR1A P08908 1/20 0.46
SLC6A9 P48067 1/20 0.45
SLC6A5 Q9Y345 1/20 0.45
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LTA4H P09960 1/20 0.44

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
SCHEMBL31041187 0.91 SLC6A9 (0.47) DRD2DRD1SGMS2ALDH1A1LMNA
SCHEMBL2577406 0.89 LIPE (0.46) DRD2DRD1SGMS2ALDH1A1LMNA
SCHEMBL2578523 0.89 SGMS2 (0.54) DRD2DRD1SGMS2ALDH1A1LMNA
SCHEMBL2575133 0.89 DRD2 (0.46) DRD2DRD1SGMS2ALDH1A1LMNA
SCHEMBL2577640 0.89 SGMS2 (0.54) DRD2DRD1SGMS2ALDH1A1LMNA
SCHEMBL1539311 0.88 LIPE (0.45) DRD2DRD1SGMS2ALDH1A1LMNA
SCHEMBL17064340 0.87 MAOB (0.51) DRD2DRD1SGMS2ALDH1A1LMNA
SCHEMBL8064458 0.87 ABCB1 (0.53) DRD2DRD1SGMS2ALDH1A1LMNA
SCHEMBL11601212 0.86 SGMS2 (0.49) DRD2SGMS2ALDH1A1LMNALIPE
SCHEMBL2575343 0.85 LIPE (0.43) DRD2DRD1SGMS2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563786-B2 Method for producing optically active alcohol MITSUI CHEMICALS, INC. (JP) 2013-10-22 US disclosed
US-20120088938-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-04-12 US disclosed
EP-2412694-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL Mitsui Chemicals, Inc. (JP) 2012-02-01 EP disclosed
US-6166072-A Amino acid derivatives ALLELIX NEUROSCIENCE, INC. (CA) 2000-12-26 US disclosed
EP-0736018-A1 4,5-DIARYLOXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-09 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-20120088938-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1A, ADH1C, FHIT DRD2 1159/4885DRD1 1014/4885SGMS2 2986/4885

“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.