SCHEMBL19199020

SCHEMBL19199020

CCN1CCCCC12CCCC2

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.34
ROCK1 Q13464 5/20 0.34
CDC42BPB Q9Y5S2 5/20 0.34
CDC42BPA Q5VT25 4/20 0.34
SOS1 Q07889 1/20 0.32
SOS2 Q07890 1/20 0.32

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
SCHEMBL18602494 0.97 ROCK2 (0.33) ROCK2ROCK1CDC42BPBCDC42BPASOS1
SCHEMBL19121494 0.95 ROCK2 (0.34) ROCK2ROCK1CDC42BPBCDC42BPASOS1
SCHEMBL19120916 0.90
SCHEMBL19121218 0.90 ROCK2 (0.32) ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL17813254 0.87 SOS1 (0.31) SOS1SOS2
SCHEMBL23602727 0.84 ROCK2 (0.31) ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL18820459 0.84 ROCK2 (0.33) ROCK2ROCK1CDC42BPBCDC42BPASOS1
SCHEMBL24221051 0.84
SCHEMBL24923748 0.81 CHRM2 (0.34)
SCHEMBL18820464 0.81 ROCK2 (0.34) ROCK2ROCK1CDC42BPBCDC42BPA

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-10280175-B2 Hepatitis B antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2019-05-07 US disclosed
US-20170217974-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2017-08-03 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-20170217974-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, ZC3HAV1, SLC10A1 ROCK2 1262/4885ROCK1 516/4885CDC42BPB 1011/4885
US-10280175-B2 Hepatitis B antiviral agents ZC3HAV1, HAVCR2, SLC10A1 ROCK2 1284/4885ROCK1 484/4885CDC42BPB 943/4885

“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.