SCHEMBL477557

SCHEMBL477557

O[C@H](c1ccccc1)c1ccc2ccccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.61
SLC6A2 P23975 12/20 0.56
SLC6A4 P31645 12/20 0.56
SLC6A3 Q01959 12/20 0.56
KCNH2 Q12809 8/20 0.56
CYP2D6 P10635 5/20 0.56
CYP3A4 P08684 2/20 0.56
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ATM Q13315 1/20 0.52
AOC3 Q16853 1/20 0.47
CYP1A2 P05177 1/20 0.47
TSHR P16473 1/20 0.47
HIF1A Q16665 1/20 0.47

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
SCHEMBL477559 1.00 UGT2B7 (0.61) UGT2B7SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL30161628 1.00 UGT2B7 (0.61) UGT2B7SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL12405817 0.94 UGT2B7 (0.53) UGT2B7SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL30033673 0.93 UGT2B7 (0.68) UGT2B7SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL600527 0.93 UGT2B7 (0.68) UGT2B7SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL26326669 0.90 UGT2B7 (0.55) UGT2B7SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL26326655 0.86 UGT2B7 (0.55) UGT2B7SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL14033733 0.86 UGT2B7 (0.55) UGT2B7SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL26326654 0.86 UGT2B7 (0.60) UGT2B7SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL17064763 0.84 UGT2B7 (0.53) UGT2B7SLC6A2SLC6A4SLC6A3KCNH2

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 3 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

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 UGT2B7 169/4885SLC6A2 3969/4885SLC6A4 2886/4885

“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.