SCHEMBL17924596

SCHEMBL17924596

COc1ccc(OC)c(P(C2CCCCC2)C2CCCCC2)c1-c1c(C(C)C)cc(C(C)C)c(-c2ccccc2)c1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 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
SCHEMBL17930321 0.93 ROCK2 (0.42) ROCK2
SCHEMBL31384427 0.83 ROCK2 (0.52) ROCK2
SCHEMBL675878 0.83 ROCK2 (0.52) ROCK2
SCHEMBL29923955 0.82 ROCK2 (0.45) ROCK2
SCHEMBL254071 0.81 ROCK2 (0.53) ROCK2
Hydrochloric Acid SCHEMBL29941928 0.80 ROCK2 (0.52) ROCK2
SCHEMBL16046651 0.80 ROCK2 (0.52) ROCK2
SCHEMBL28039785 0.79 ROCK2 (0.52) ROCK2
SCHEMBL17924637 0.79 CA1 (0.33)
SCHEMBL19469296 0.78 ROCK2 (0.50) ROCK2

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-20170282170-A9 PHOSPHORUS-CONTAINING CATALYSTS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-10-05 US disclosed
US-20160207034-A1 PHOSPHORUS-CONTAINING CATALYSTS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-07-21 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 (2 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-20160207034-A1 PHOSPHORUS-CONTAINING CATALYSTS AR, NR2C2, ORC3 ROCK2 1715/4885
US-20170282170-A9 PHOSPHORUS-CONTAINING CATALYSTS AR, NR2C2, ORC3 ROCK2 1715/4885

“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.