SCHEMBL3965795

SCHEMBL3965795

CCCc1cc(C=O)c(O)c(CCC)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.42
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
CDK1 P06493 1/20 0.39
DHFR P00374 1/20 0.38
PTPN1 P18031 1/20 0.35
PTPN11 Q06124 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ALOX5 P09917 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
SCHEMBL5882422 0.91 ERN1 (0.41) ERN1LMNAMAPTCDK1DHFR
SCHEMBL7251486 0.89 PTGS2 (0.49) LMNACDK1ALOX5
SCHEMBL3967922 0.86 NPC1 (0.44) ERN1LMNAMAPTCDK1ALOX5
SCHEMBL5673519 0.83 PTGS2 (0.50) LMNACDK1ALOX5
SCHEMBL5883620 0.82 ERN1 (0.47) ERN1LMNAMAPTCDK1CNR1
SCHEMBL5883032 0.82 ERN1 (0.62) ERN1PTPN1PTPN11
SCHEMBL15591003 0.81 ERN1 (0.55) ERN1LMNAMAPTPTPN1PTPN11
SCHEMBL19792610 0.81 ERN1 (0.55) ERN1LMNAMAPT
SCHEMBL1023215 0.80 DHFR (0.45) DHFRPTPN1PTPN11CNR1CNR2
SCHEMBL3966884 0.79 ERN1 (0.47) ERN1LMNAMAPTCDK1

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
CN-101514212-B Synthetic method of pyridine-2''amino-2'-hydroxybenzene methanol phenylcarbinol boric acid ester compound UNIV LIAONING 2011-11-09 CN claimed
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
CN-101514212-B Synthetic method of pyridine-2''amino-2'-hydroxybenzene methanol phenylcarbinol boric acid ester compound UNIV LIAONING 2011-11-09 CN disclosed
CN-101514212-A Pyridine-2''amino-2'-hydroxybenzene methanol phenylcarbinol boric acid ester compound and synthetic method thereof UNIV LIAONING (CN) 2009-08-26 CN 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 ERN1 2212/4885LMNA 4296/4885MAPT 1019/4885

“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.