SCHEMBL477696

SCHEMBL477696

O[C@@H](c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
ADRA2A P08913 2/20 0.53
ADRA2B P18089 2/20 0.53
ADRA2C P18825 2/20 0.53
ADRA1D P25100 2/20 0.53
ADRA1A P35348 2/20 0.53
ADRA1B P35368 2/20 0.53
CYP2C9 P11712 3/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP1A2 P05177 2/20 0.52
SLC6A4 P31645 1/20 0.49
TSHR P16473 1/20 0.48
KMT2A Q03164 2/20 0.46
ADORA2A P29274 2/20 0.46
ADORA1 P30542 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
GAA P10253 1/20 0.46
ACP3 P15309 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
SCHEMBL30986717 1.00 LMNA (0.53) LMNAADRA2AADRA2BADRA2CADRA1D
SCHEMBL477685 1.00 LMNA (0.53) LMNAADRA2AADRA2BADRA2CADRA1D
SCHEMBL477543 1.00 LMNA (0.53) LMNAADRA2AADRA2BADRA2CADRA1D
Dimethylamine SCHEMBL11569829 0.93 SLC6A4 (0.55) LMNAADRA2AADRA2BADRA2CADRA1D
Acetic Acid SCHEMBL28094249 0.91 ALDH1A1 (0.53) LMNAADRA2AADRA2BADRA2CADRA1D
Phosphoric Acid SCHEMBL28852138 0.91 ACP3 (0.53) LMNAADRA2AADRA2BADRA2CADRA1D
SCHEMBL598905 0.87 ALDH1A1 (0.60) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL31332147 0.87 ALDH1A1 (0.60) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL10137032 0.85 ADRA2A (0.47) LMNAADRA2AADRA2BADRA2CADRA1D
SCHEMBL8077604 0.85 ADRA2A (0.47) LMNAADRA2AADRA2BADRA2CADRA1D

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 LMNA 1422/4885ADRA2A 2712/4885ADRA2B 3295/4885

“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.