SCHEMBL3967211

SCHEMBL3967211

Cc1ccccc1-c1cccc(O)c1C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.42
TRPA1 O75762 2/20 0.42
ERN1 O75460 4/20 0.42
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
HTR2B P41595 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
MCL1 Q07820 1/20 0.39
HPGD P15428 3/20 0.39
USP2 O75604 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 3/20 0.38
NFKB1 P19838 2/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL7092661 0.92 ALDH1A1 (0.44) ATMTRPA1ERN1ALDH1A1HTR2B
SCHEMBL1830917 0.84 ALDH1A1 (0.46) ALDH1A1TSHRTRIM24TRIM33CA12
SCHEMBL7094219 0.84 ELANE (0.42) ATMTRPA1ERN1ALDH1A1TSHR
SCHEMBL8342262 0.83 TRPA1 (0.43) ATMTRPA1ERN1ALDH1A1TSHR
SCHEMBL412923 0.82 TRPA1 (0.50) ATMTRPA1ERN1ALDH1A1TSHR
SCHEMBL29485033 0.82 TRPA1 (0.50) ATMTRPA1ERN1ALDH1A1TSHR
SCHEMBL28257757 0.82 TRPA1 (0.50) ATMTRPA1ERN1ALDH1A1TSHR
SCHEMBL3965408 0.81 PADI4 (0.41) ERN1ALDH1A1TSHRCA12CA1
SCHEMBL16704711 0.80 ERN1 (0.47) ATMTRPA1ERN1ALDH1A1TSHR
SCHEMBL4238015 0.80 MCL1 (0.45) ATMERN1ALDH1A1TSHRCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1992630-B1 Covalently fixed non-metallocenes, method for the production thereof and their use for polymerizing olefins TICONA GMBH (DE) 2012-10-31 EP disclosed
EP-1480987-B1 COVALENTLY FIXED NON-METALLOCENES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE FOR POLYMERIZING OLEFINS CELANESE HOLDING GMBH (DE) 2009-07-29 EP disclosed
EP-1992630-A1 Covalently fixed non-metallocenes, method for the production thereof and their use for polymerizing olefins Celanese Holding GmbH (DE) 2008-11-19 EP disclosed
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
EP-1334107-B1 NON-METALLOCENE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF AND USE OF THE SAME FOR THE POLYMERISATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2006-07-26 EP 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
EP-1480987-A1 COVALENTLY FIXED NON-METALLOCENES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE FOR POLYMERIZING OLEFINS Celanese Ventures GmbH (DE) 2004-12-01 EP 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
WO-2003072584-A1 COVALENTLY FIXED NON-METALLOCENES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE FOR POLYMERIZING OLEFINS CELANESE VENTURES GMBH (DE) 2003-09-04 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-20040023940-A1 Non-metallocene compounds, method for the production thereof and use of the same for the polymerisation of olefins SOAT2, NOTUM, SOAT1 ATM 3981/4885TRPA1 1311/4885ERN1 2212/4885

“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.