SCHEMBL3968243

SCHEMBL3968243

N[C@@H]1CCC(c2ccccc2)C[C@H]1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.55
AKR1C1 Q04828 1/20 0.55
MAOB P27338 9/20 0.52
MAOA P21397 7/20 0.52
KDM1A O60341 6/20 0.52
CYP2C19 P33261 4/20 0.52
CYP2B6 P20813 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C9 P11712 2/20 0.52
LMNA P02545 2/20 0.52
TAAR1 Q96RJ0 2/20 0.52
CYP3A4 P08684 1/20 0.52
HTR1A P08908 1/20 0.52
ADRA2A P08913 1/20 0.52
CYP2A6 P11509 1/20 0.52
SLC6A2 P23975 1/20 0.52
HTR2C P28335 1/20 0.52
ADRA1A P35348 1/20 0.52
DRD3 P35462 1/20 0.52

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
SCHEMBL3966251 1.00 AKR1C3 (0.55) AKR1C3AKR1C1MAOBMAOAKDM1A
Sulfuric Acid SCHEMBL5870415 0.89 KDM4E (0.61) AKR1C3AKR1C1MAOBMAOAKDM1A
Sulfuric Acid SCHEMBL5870412 0.89 KDM4E (0.61) AKR1C3AKR1C1MAOBMAOAKDM1A
Sulfuric Acid SCHEMBL3962603 0.89 KDM4E (0.61) AKR1C3AKR1C1MAOBMAOAKDM1A
Cadaverine Tartrate SCHEMBL9137056 0.85 AKR1C3 (0.54) AKR1C3AKR1C1MAOBMAOAKDM1A
SCHEMBL19362020 0.82 AKR1C3 (0.51) AKR1C3AKR1C1MAOBMAOAKDM1A
SCHEMBL27844124 0.82 AKR1C3 (0.55) AKR1C3AKR1C1MAOBMAOAKDM1A
SCHEMBL10895189 0.81 AKR1C3 (0.61) AKR1C3AKR1C1MAOBMAOAKDM1A
SCHEMBL15540828 0.80 AKR1C3 (0.52) AKR1C3AKR1C1MAOBMAOAKDM1A
SCHEMBL12540252 0.80 AKR1C3 (0.52) AKR1C3AKR1C1MAOBMAOAKDM1A

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 AKR1C3 36/4885AKR1C1 190/4885MAOB 1014/4885

“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.