SCHEMBL3966440

SCHEMBL3966440

CCC1CCC(=O)C(Br)C1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.34
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL11803572 0.86 CA1 (0.41)
SCHEMBL11800586 0.83 HTT (0.33) TLR4NOS3NOS1NOS2
SCHEMBL11378786 0.77 CA1 (0.41) TLR4NOS3NOS1NOS2
SCHEMBL2689985 0.77 TLR4 (0.35) TLR4NOS3NOS1NOS2
SCHEMBL29924826 0.76
SCHEMBL21811702 0.75 TLR4 (0.34) TLR4NOS3NOS1NOS2
SCHEMBL11806531 0.75 TLR4 (0.36) TLR4NOS3NOS1NOS2
SCHEMBL11244015 0.75 ALDH1A1 (0.47) TLR4
SCHEMBL26144411 0.73 MTNR1A (0.38) TLR4
SCHEMBL11423209 0.72 TDP1 (0.38) TLR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1517911-B1 TUMOUR-INHIBITING PLATINUM (II) OXALATE COMPLEXES KEPPLER PROF DR DR BERNHARD K (AT) 2009-07-29 EP disclosed
US-7057059-B2 Tumor-inhibiting platinum (II) oxalate complexes FAUSTUS FORSCHUNGS CIE. TRANSLATIONAL CANCER RESEARCH GMBH (DE) 2006-06-06 US disclosed
US-20050143455-A1 Tumor-inhibiting platinum (II) oxalate complexes FAUSTUS FORSCHUNGS CIE. TRANSLATIONAL CANCER RESEARCH GMBH 2005-06-30 US disclosed
EP-1517911-A1 TUMOUR-INHIBITING PLATINUM (II) OXALATE COMPLEXES Faustus Forschungs Cie. Translational Cancer Research GmbH (DE) 2005-03-30 EP disclosed
WO-2003106469-A1 TUMOUR-INHIBITING PLATINUM (II) OXALATE COMPLEXES FAUSTUS FORSCHUNGS CIE. TRANSLATIONAL CANCER RESEARCH GMBH (DE) 2003-12-24 WO 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-20050143455-A1 Tumor-inhibiting platinum (II) oxalate complexes OXGR1, OAT, OXA1L TLR4 4460/4885NOS3 852/4885NOS1 1362/4885

“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.