SCHEMBL1986458

SCHEMBL1986458

COc1ccc2c(c1)CC(C(=O)Nc1ccc(Br)cc1OC)CO2

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 12/20 0.69
▸ LMNA P02545 3/20 0.66
▸ TP53 P04637 4/20 0.64
▸ POLB P06746 1/20 0.64
▸ MAPT P10636 1/20 0.62
▸ ROCK1 Q13464 4/20 0.59
▸ CDC42BPA Q5VT25 4/20 0.58

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
SCHEMBL13457441 0.92 LMNA (0.66) ROCK2LMNATP53POLBMAPT
SCHEMBL12562095 0.86 TP53 (0.77) ROCK2LMNATP53POLBMAPT
SCHEMBL13457193 0.84 TP53 (0.58) ROCK2LMNATP53POLBMAPT
SCHEMBL1987445 0.84 LMNA (0.57) ROCK2LMNATP53POLBMAPT
SCHEMBL1991091 0.82 ROCK2 (1.00) ROCK2ROCK1CDC42BPA
SCHEMBL12756749 0.79 TP53 (0.56) ROCK2LMNATP53POLBMAPT
SCHEMBL1987269 0.78 ROCK2 (0.69) ROCK2ROCK1CDC42BPA
SCHEMBL13798682 0.78 ROCK2 (0.68) ROCK2ROCK1CDC42BPA
SCHEMBL12602331 0.78 TP53 (0.71) ROCK2LMNATP53POLBMAPT
SCHEMBL7959431 0.77 TP53 (0.54) ROCK2LMNATP53POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110150833-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-06-23 — — 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-20110150833-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS ROCK1, RHOA, RHOT2 ROCK2 4/4885LMNA 2482/4885TP53 4446/4885

“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.

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