SCHEMBL115985

SCHEMBL115985

COc1cccc([C@H](O)CNCc2ccccc2OCc2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.56
HTR1A P08908 2/20 0.56
DRD2 P14416 2/20 0.56
BCHE P06276 2/20 0.54
GAA P10253 1/20 0.51
AOC3 Q16853 1/20 0.51
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49

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
SCHEMBL10070264 0.91 BCHE (0.58) BCHE
SCHEMBL10070263 0.91 BCHE (0.58) BCHE
SCHEMBL115988 0.90 PRMT5 (0.50) BCHEGAAPRMT5WDR77
SCHEMBL118372 0.90 PRMT5 (0.50) BCHEGAAPRMT5WDR77
SCHEMBL117334 0.84 PRMT5 (0.51) BCHEGAAPRMT5WDR77
SCHEMBL117148 0.84 LMNA (0.59) GAAPRMT5WDR77
SCHEMBL10874366 0.84 AOC3 (0.63) BCHEAOC3
SCHEMBL115977 0.82 PRMT5 (0.48) GAAPRMT5WDR77
SCHEMBL1438054 0.81 BCHE (0.55) DRD2BCHEPRMT5WDR77
SCHEMBL2298148 0.80 APLNR (0.51) BCHEGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058133-A1 INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-03-08 US disclosed
US-20120058133-A1 INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-03-08 US 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-20120058133-A1 INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF AARS1, GARS1, TRMT1 ABCB1 3249/4885HTR1A 3454/4885DRD2 4591/4885

“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.