SCHEMBL5078508

SCHEMBL5078508

CC(C[Al](CC(C)c1ccc(F)cc1)CC(C)c1ccc(F)cc1)c1ccc(F)cc1.CC(C[Al](CC(C)c1ccccc1)CC(C)c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
TAAR1 Q96RJ0 3/20 0.45
SLC6A4 P31645 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MITF O75030 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
AOC3 Q16853 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TRPA1 O75762 2/20 0.40
NPC1 O15118 1/20 0.40
RIPK1 Q13546 1/20 0.40

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
SCHEMBL335603 0.92 POLB (0.37) POLBTAAR1SLC6A4HTTAOC3
SCHEMBL7699622 0.92 KMT2A (0.42) POLBTAAR1SLC6A4ALDH1A1MITF
SCHEMBL335496 0.88 TAAR1 (0.56) TAAR1SLC6A4ALDH1A1LMNAHTT
SCHEMBL6912043 0.83 ADRB2 (0.41) SLC6A4ALDH1A1MAPTKMT2ANPC1
SCHEMBL4379785 0.82 TAAR1 (0.50) TAAR1SLC6A4ALDH1A1LMNAHTT
SCHEMBL4379781 0.82 TAAR1 (0.50) TAAR1SLC6A4ALDH1A1LMNAHTT
SCHEMBL19317395 0.82 TRPA1 (0.53) POLBTAAR1ALDH1A1AOC3KDM4E
SCHEMBL17071841 0.74 NPC1 (0.47) SLC6A4ALDH1A1MITFLMNAMAPT
SCHEMBL12846949 0.74 NPC1 (0.47) SLC6A4ALDH1A1MITFLMNAMAPT
SCHEMBL17069342 0.74 NPC1 (0.47) SLC6A4ALDH1A1MITFLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1141049-B1 CATALYST SYSTEM FOR OLEFIN POLYMERIZATION BASELL POLYOLEFINE GMBH (DE) 2004-06-09 EP claimed
US-20080139762-A1 Metallocene Compounds, Ligands Used in Their Preparation, Preparation of 1-Butene Polymers and 1-Butene Polymers Therefrom BASELL POLYOLEFINE GMBH (DE) 2008-06-12 US disclosed
US-20080027190-A1 Process for Producing Fractionable 1-Butene Polymers BASELL POLYOLEFINE GMBH (DE) 2008-01-31 US disclosed
EP-1222216-B1 PROPYLENE POLYMERS AND PROCESS FOR THE PREPARATION THEREOF BASELL POLYOLEFINE GMBH (DE) 2004-12-29 EP disclosed
EP-1141049-B1 CATALYST SYSTEM FOR OLEFIN POLYMERIZATION BASELL POLYOLEFINE GMBH (DE) 2004-06-09 EP disclosed
US-6703457-B2 A POLYMERIZATION CATALYST SYSTEM CONTAINING A BRIDGED METALLOCENE AND A SUITABLE ACTIVATING COCATALYST; REDUCING THE CONCENTRATION OF HYDROGEN FORMED DURING POLYMERIZATION IS REDUCED BY MEANS OF HYDROGENATION CATALYST BASELL POLYOLEFINE GMBH (DE) 2004-03-09 US disclosed
US-20030130445-A1 Propylene polymers and process for the preparation thereof BASELL POLYOLEFINE GMBH (DE) 2003-07-10 US disclosed
EP-1222216-A1 PROPYLENE POLYMERS AND PROCESS FOR THE PREPARATION THEREOF Basell Technology Company B.V. (NL) 2002-07-17 EP disclosed
WO-2001090205-A1 PROPYLENE POLYMERS AND PROCESS FOR THE PREPARATION THEREOF BASELL TECHNOLOGY COMPANY B.V. (NL) 2001-11-29 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-20080139762-A1 Metallocene Compounds, Ligands Used in Their Preparation, Preparation of 1-Butene Polymers and 1-Butene Polymers Therefrom CHRM1, B2M, CHRM2 POLB 1890/4885TAAR1 586/4885SLC6A4 4857/4885

“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.