SCHEMBL4903081

SCHEMBL4903081

Cc1cc(C)c(-n2ccnc2P(C(C)(C)C)C(C)(C)C)c(C)c1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL13706025 0.74 CYP3A4 (0.43) CRHR1NPC1RAB9ASMN1; SMN2
SCHEMBL289539 0.73 TAS1R3 (0.33) SMN1; SMN2
SCHEMBL13589306 0.72 KDM4E (0.33) CRHR1NPC1RAB9ASMN1; SMN2
SCHEMBL5423379 0.72 L3MBTL1 (0.37) CRHR1NPC1RAB9ASMN1; SMN2
SCHEMBL1316463 0.67 KDR (0.52)
SCHEMBL18258731 0.66 LPO (0.43)
SCHEMBL29877358 0.66 KDR (0.51)
SCHEMBL29070232 0.66 KDR (0.51)
SCHEMBL29788366 0.66 KDR (0.51)
SCHEMBL28848948 0.66 KDR (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314243-B2 by cyanating the aryl halides with potassium hexacyanoferrate(I) or (III) and using as catalysts, a palladium compound and a phosphine or biphosphine ligand; efficient reaction of less expensive aryl chloride on industrial scale; active catalyst; butylbis(adamantyl)phosphine or tri(t-butyl)phosphine SALTIGO GMBH (DE) 2012-11-20 US disclosed
US-20080194829-A1 by cyanating the aryl halides with potassium hexacyanoferrate(I) or (III) and using as catalysts, a palladium compound and a phosphine or biphosphine ligand; efficient reaction of less expensive aryl chloride on industrial scale; active catalyst; butylbis(adamantyl)phosphine or tri(t-butyl)phosphine SALTIGO GMBH (DE) 2008-08-14 US disclosed
EP-1930316-A1 Method for catalytic manufacture of aromatic or heteroaromatic nitriles Saltigo GmbH (DE) 2008-06-11 EP 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-20080194829-A1 by cyanating the aryl halides with potassium hexacyanoferrate(I) or (III) and using as catalysts, a palladium compound and a phosphine or biphosphine ligand; efficient reaction of less expensive aryl chloride on industrial scale; active catalyst; butylbis(adamantyl)phosphine or tri(t-butyl)phosphine TST, CBR3, ALK CRHR1 3341/4885NPC1 4218/4885RAB9A 1463/4885

“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.