SCHEMBL3965408

SCHEMBL3965408

Cc1ccccc1-c1ccc(-c2ccccc2C)c(C=O)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 1/20 0.41
ALDH1A1 P00352 4/20 0.41
TSHR P16473 1/20 0.41
ERN1 O75460 7/20 0.40
ELANE P08246 1/20 0.40
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
MCL1 Q07820 1/20 0.36
LDHA P00338 1/20 0.35
MAPT P10636 2/20 0.35
BRD4 O60885 1/20 0.35
CYP3A4 P08684 1/20 0.35
LCK P06239 1/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL12766891 0.84 ERN1 (0.59) ALDH1A1ERN1ELANEKDM4EMAPT
SCHEMBL3967211 0.81 ATM (0.42) PADI4ALDH1A1TSHRERN1KDM4E
SCHEMBL1830917 0.80 ALDH1A1 (0.46) ALDH1A1TSHRKDM4EUSP2HPGD
SCHEMBL3967210 0.78 ALDH1A1 (0.55) ALDH1A1TSHRERN1KDM4ECA1
SCHEMBL1005238 0.75 ALDH1A1 (0.57) ALDH1A1TSHRELANEKDM4EUSP2
SCHEMBL3964540 0.75 ERN1 (0.51) PADI4ALDH1A1ERN1KDM4EHPGD
SCHEMBL7092661 0.75 ALDH1A1 (0.44) ALDH1A1ERN1KDM4EHPGDHSD17B10
SCHEMBL673891 0.73 ALDH1A1 (0.62) ALDH1A1TSHRELANEKDM4EUSP2
SCHEMBL5617574 0.73 ESR2 (0.46) PADI4ALDH1A1ERN1ELANEHPGD
SCHEMBL4238015 0.73 MCL1 (0.45) ALDH1A1TSHRERN1KDM4EUSP2

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-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
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
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 PADI4 1354/4885ALDH1A1 1428/4885TSHR 4832/4885

“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.