SCHEMBL5598756

SCHEMBL5598756

c1cc(OP(C2CCCCC2)C2CCCCC2)cc(P(OC2CCCCC2)OC2CCCCC2)c1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.30

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
SCHEMBL2940772 0.72 FABP7 (0.36)
SCHEMBL27649983 0.72 RAB9A (0.40)
Biphenyl SCHEMBL5598752 0.70 POLB (0.31)
SCHEMBL27826276 0.68 FABP7 (0.33) ROCK2
SCHEMBL6049898 0.68 METAP2 (0.32)
SCHEMBL6757083 0.68 POLB (0.31)
SCHEMBL4454309 0.67 CYP3A4 (0.35)
SCHEMBL16694069 0.65 ROCK2 (0.48) ROCK2
SCHEMBL29528000 0.65 ROCK2 (0.48) ROCK2
SCHEMBL29527663 0.65 ROCK2 (0.42) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1437356-B1 Copper complexes and the use thereof LANXESS DEUTSCHLAND GMBH (DE) 2006-03-29 EP claimed
US-20040198997-A1 Copper complexes and their use LANXESS DEUTSCHLAND GMBH (DE) 2004-10-07 US claimed
US-7179946-B2 Copper complexes and their use LANXESS DEUTSCHLAND GMBH (DE) 2007-02-20 US disclosed
US-6946577-B2 Process for the production of aminodiphenylamines BAYER AKTIENGESELLSCHAFT (DE) 2005-09-20 US disclosed
US-20040198997-A1 Copper complexes and their use LANXESS DEUTSCHLAND GMBH (DE) 2004-10-07 US disclosed
US-20040143139-A1 Process for the production of aminodiphenylamines LANXESS DEUTSCHLAND GMBH (DE) 2004-07-22 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-20040143139-A1 Process for the production of aminodiphenylamines NUDT1, ITPA, NAAA ROCK2 4512/4885
US-20040198997-A1 Copper complexes and their use SOD1, SOD3, ITPA ROCK2 4494/4885

“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.