SCHEMBL3964754

SCHEMBL3964754

CCc1cc(O)c(C=O)c(CC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ CYP3A4 P08684 3/20 0.42
▸ USP2 O75604 1/20 0.42
▸ TRPA1 O75762 1/20 0.42
▸ BACE1 P56817 1/20 0.38
▸ HSPA5 P11021 1/20 0.38
▸ ERN1 O75460 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ OPRM1 P35372 1/20 0.35
▸ ALOX15 P16050 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ PTGES O14684 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL2994257 0.85 MEN1 (0.46) MEN1KMT2AGAACYP3A4USP2
SCHEMBL2027850 0.82 ERN1 (0.43) MEN1KMT2AGAACYP3A4USP2
SCHEMBL12581613 0.80 CYP3A4 (0.42) MEN1KMT2AGAACYP3A4USP2
SCHEMBL5342671 0.79 HTT (0.39) CYP3A4USP2BACE1ERN1MAPT
SCHEMBL3970026 0.77 MAPK1 (0.53) MEN1KMT2AGAACYP3A4OPRM1
SCHEMBL5195249 0.74 ALOX15 (0.50) MEN1KMT2AGAACYP3A4TRPA1
SCHEMBL952993 0.74 ERN1 (0.38) MEN1KMT2ACYP3A4USP2ERN1
SCHEMBL2174289 0.74 TRPA1 (0.48) MEN1KMT2AGAATRPA1BACE1
SCHEMBL1988566 0.72 TRPA1 (0.46) MEN1KMT2AGAATRPA1BACE1
SCHEMBL992788 0.72 TRPA1 (0.46) MEN1KMT2AGAATRPA1BACE1

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 11 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
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 MEN1 916/4885KMT2A 1566/4885GAA 3114/4885

“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.

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