SCHEMBL4469495

SCHEMBL4469495

CC(C)(C)c1ccc(-c2cccc3c2C=C(C2CCCC2)[CH]3)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.38
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
XBP1 P17861 1/20 0.32
ALOX12 P18054 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PTGS2 P35354 1/20 0.32
PARP1 P09874 1/20 0.31
CHRM3 P20309 1/20 0.31
NPY1R P25929 1/20 0.31
NPY2R P49146 1/20 0.31
NPY4R P50391 1/20 0.31
NPY5R Q15761 1/20 0.31
S1PR1 P21453 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
SCHEMBL4471130 0.99 PTAFR (0.37) PTAFRBRD4CREBBPCYP3A4CYP2C9
SCHEMBL15163504 0.85 FFAR4 (0.30) PTGS2
SCHEMBL4464393 0.83 POLB (0.35) ALDH1A1LMNASMN1; SMN2NPSR1PTGS2
SCHEMBL28049322 0.83 PTAFR (0.34) PTAFR
SCHEMBL4467167 0.82 POLB (0.37) ALDH1A1LMNASMN1; SMN2NPSR1PTGS2
SCHEMBL15163552 0.82 BRD4 (0.34) BRD4CREBBPLMNAHPGDNPSR1
SCHEMBL27872917 0.77 PTAFR (0.34) PTAFRBRD4CREBBPPARP1CHRM3
SCHEMBL672592 0.76 TSHR (0.39) PTAFRBRD4CREBBPALDH1A1LMNA
SCHEMBL4465636 0.75 GSTP1 (0.36) PTGS2S1PR1S1PR5SLC6A2
SCHEMBL673246 0.75 PTAFR (0.35) PTAFRBRD4CREBBPALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1548023-B1 Transition metal compound, catalyst system and the use of the latter for the polymerisation and copolymerisation of olefins BASELL POLYOLEFINE GMBH (DE) 2013-08-14 EP disclosed
US-7569651-B2 Transition metal compound, ligand system, catalyst system and its use for the polymerization and copolymerization of olefins BASELL POLYPROPYLEN GMBH (DE) 2009-08-04 US disclosed
US-7342078-B2 Transition metal compound, ligand system, catalyst system and the use of the latter for polymerisation and copolymerisation of olefins BASELL POLYOLEFINE GMBH (DE) 2008-03-11 US disclosed
US-20060020096-A1 Transition metal compound, ligand system, catalyst system and its use for the polymerization and copolymerization of olefins SCHOTTEK JORG 2006-01-26 US disclosed
EP-1548037-A2 Random propylene-ethylene copolymers Basell Polyolefine GmbH (DE) 2005-06-29 EP disclosed
EP-1548022-A2 Transition metal compound, ligand system, catalyst system and the use of the latter for the polymerisation and copolymerisation of olefins Basell Polyolefine GmbH (DE) 2005-06-29 EP disclosed
EP-1548023-A2 Transition metal compound, catalyst system and the use of the latter for the polymerisation and copolymerisation of olefins Basell Polyolefine GmbH (DE) 2005-06-29 EP disclosed
US-20030149199-A1 Transition metal compound, ligand system, catalyst system and the use of the latter for polymerisation and copolymerisation of olefins BASELL POLYPROPYLEN GMBH (DE) 2003-08-07 US disclosed
EP-1250365-A2 TRANSITION METAL COMPOUND, LIGAND SYSTEM, CATALYST SYSTEM AND THE USE OF THE LATTER FOR THE POLYMERISATION AND COPOLYMERISATION OF OLEFINS Basell Polypropylen GmbH (DE) 2002-10-23 EP disclosed
WO-2001048034-A2 TRANSITION METAL COMPOUND, LIGAND SYSTEM, CATALYST SYSTEM AND THE USE OF THE LATTER FOR THE POLYMERISATION AND COPOLYMERISATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2001-07-05 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-20030149199-A1 Transition metal compound, ligand system, catalyst system and the use of the latter for polymerisation and copolymerisation of olefins PORCN, PGR, PPOX PTAFR 818/4885BRD4 1223/4885CREBBP 2360/4885

“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.