SCHEMBL5335699

SCHEMBL5335699

O=Cc1c(O)cccc1-c1cccc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.62
CYP1A2 P05177 1/20 0.50
PADI4 Q9UM07 1/20 0.44
KDM4E B2RXH2 2/20 0.43
MCL1 Q07820 1/20 0.43
ACMSD Q8TDX5 1/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
BACE1 P56817 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL10454858 0.90 ERN1 (0.64) ERN1CYP1A2PADI4KDM4EMCL1
SCHEMBL3964540 0.84 ERN1 (0.51) ERN1CYP1A2PADI4KDM4EMCL1
SCHEMBL29476748 0.82 ERN1 (0.50) ERN1CYP1A2PADI4MCL1ACMSD
SCHEMBL3970096 0.82 ERN1 (0.50) ERN1CYP1A2PADI4MCL1ACMSD
SCHEMBL7165307 0.81 ERN1 (0.43) ERN1CYP1A2KDM4EMCL1ACMSD
SCHEMBL9094674 0.79 ERN1 (0.42) ERN1CYP1A2PADI4KDM4ENPC1
SCHEMBL22211884 0.79 ALDH1A1 (0.55) ERN1CYP1A2KDM4ENPC1BACE1
SCHEMBL30214159 0.78 CYP1A2 (0.65) CYP1A2MCL1ACMSDCA12CA1
SCHEMBL217637 0.78 CYP1A2 (0.65) CYP1A2MCL1ACMSDCA12CA1
SCHEMBL249731 0.77 ERN1 (0.71) ERN1CYP1A2PADI4KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100354283-C Covalently fixed non-metallocenes, method for the production thereof and their use for polymerizing olefins CELANESE VENTURES GMBH (DE) 2007-12-12 CN disclosed
US-7157398-B2 Covalently fixed nonmetallocenes, process for preparing them and their use for the polymerization of olefins CELANESE VENTURES GMBH (DE) 2007-01-02 US disclosed
CN-1642962-A Covalently bound non-metallocenes, method for the production thereof and use thereof in the polymerization of olefins CELANESE VENTURES GMBH (DE) 2005-07-20 CN disclosed
US-20050148461-A1 Covalently fixed nonmetallocenes, process for preparing them and their use for the polymerization of olefins CELANESE VENTURES GMBH (DE) 2005-07-07 US disclosed
US-6872843-B2 Non-metallocene compounds, method for the production thereof and use of the same for the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2005-03-29 US disclosed
US-20040023940-A1 Non-metallocene compounds, method for the production thereof and use of the same for the polymerisation of olefins EQUISTAR CHEMICALS, LP 2004-02-05 US 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-20040023940-A1 Non-metallocene compounds, method for the production thereof and use of the same for the polymerisation of olefins SOAT2, NOTUM, SOAT1 ERN1 2212/4885CYP1A2 452/4885PADI4 1354/4885

“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.