SCHEMBL3696397

SCHEMBL3696397

CC(C)CC1=Cc2c(-c3cccc4ccccc34)cccc2C1[Zr](Cl)(Cl)C1C(CC(C)C)=Cc2c(-c3cccc4ccccc34)cccc21

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.33
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX5 P09917 1/20 0.31
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 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
SCHEMBL2522719 0.86 PTPN1 (0.33) PTPN1MAPT
SCHEMBL2521568 0.84 HTR7 (0.33) PTPN1
SCHEMBL5951939 0.84
SCHEMBL15669120 0.83 CSNK2A2 (0.31)
SCHEMBL1583128 0.82 ALOX5 (0.39) PTPN1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL27491322 0.81 NPC1 (0.32) PTPN1NPC1MAPTRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL27476742 0.80 NPC1 (0.33) PTPN1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL3685253 0.80 CNR2 (0.32) PTPN1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL2525070 0.79 CA12 (0.33) PTPN1NPC1MAPTRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL2520557 0.79 NPC1 (0.32) PTPN1NPC1MAPTRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874830-B1 MOLDING COMPOSITION COMPRISING POLYETHYLENE FOR PREPARING FILMS AND PROCESS FOR PREPARING THE MOLDING COMPOSITION IN THE PRESENCE OF A MIXED CATALYST BASELL POLYOLEFINE GMBH (DE) 2010-10-20 EP disclosed
US-20090311453-A1 Molding compostion comprsing polyethlene for preparing films and process for preparing the molding composition in the presence of a mixed catalyst BASELL POLYOLEFINE GMBH (DE) 2009-12-17 US disclosed
EP-1874830-A1 MOLDING COMPOSITION COMPRISING POLYETHYLENE FOR PREPARING FILMS AND PROCESS FOR PREPARING THE MOLDING COMPOSITION IN THE PRESENCE OF A MIXED CATALYST Basell Polyolefine GmbH (DE) 2008-01-09 EP disclosed
WO-2006114209-A1 MOLDING COMPOSITION COMPRISING POLYETHYLENE FOR PREPARING FILMS AND PROCESS FOR PREPARING THE MOLDING COMPOSITION IN THE PRESENCE OF A MIXED CATALYST BASELL POLYOLEFINE GMBH (DE) 2006-11-02 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-20090311453-A1 Molding compostion comprsing polyethlene for preparing films and process for preparing the molding composition in the presence of a mixed catalyst MAFG, PARG, MICOS13 PTPN1 3670/4885NPC1 1968/4885MAPT 692/4885

“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.