SCHEMBL2293547

SCHEMBL2293547

COc1cc(OC)c(C(=O)C(F)(F)F)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.53
USP2 O75604 1/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ABCG2 Q9UNQ0 3/20 0.47
KMT2A Q03164 1/20 0.44
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41
OPRK1 P41145 1/20 0.41
KCNH2 Q12809 1/20 0.41
EBP Q15125 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL26121908 0.78 CYP3A4 (0.58) CYP3A4USP2MAPK1SMN1; SMN2ABCG2
SCHEMBL28130717 0.78 USP2 (0.39) CYP3A4USP2MAPK1SMN1; SMN2ABCG2
SCHEMBL1950595 0.77 NPC1 (0.58) CYP3A4SMN1; SMN2ABCG2KMT2ACYP2C19
SCHEMBL17469282 0.76 NQO2 (0.45) CYP3A4USP2MAPK1SMN1; SMN2ABCG2
SCHEMBL4907666 0.75 CYP3A4 (0.60) CYP3A4USP2MAPK1SMN1; SMN2ABCG2
SCHEMBL466144 0.75 CYP3A4 (0.60) CYP3A4USP2MAPK1SMN1; SMN2ABCG2
SCHEMBL2029772 0.75 CYP3A4 (0.78) CYP3A4USP2MAPK1SMN1; SMN2ABCG2
SCHEMBL16010536 0.75 CYP3A4 (0.60) CYP3A4USP2MAPK1SMN1; SMN2ABCG2
Trifluoroacetic Acid SCHEMBL28276816 0.74 USP2 (0.42) CYP3A4USP2MAPK1SMN1; SMN2ABCG2
SCHEMBL2096044 0.74 CYP3A4 (0.58) CYP3A4USP2MAPK1SMN1; SMN2ABCG2

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-0276558-B1 INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-08 EP claimed
US-7998895-B2 Catalysts for olefin polymerization E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-08-16 US disclosed
US-20100222531-A1 CATALYSTS FOR OLEFIN POLYMERIZATION E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-09-02 US disclosed
US-20100029469-A1 CATALYSTS FOR OLEFIN POLYMERIZATION E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-02-04 US disclosed
US-7439314-B2 Catalysts for olefin polymerization E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-10-21 US disclosed
US-6897275-B2 Catalysts for olefin polymerization E. I. DU PONT DE NEMOURS AND COMPANY (US) 2005-05-24 US disclosed
US-20050043496-A1 Catalysts for olefin polymerization WANG LIN (CN) 2005-02-24 US disclosed
US-6541585-B2 Using transition metal complexes that have sites capable of binding a Lewis acid in close proximity to the metal center E. I. DU PONT DE NEMOURS AND COMPANY 2003-04-01 US disclosed
US-6372030-B1 INK VEHICLE SELECTED FROM 4-(HEXADECYLAMINO)BENZYLAMINE, N-OCTANOYL-N-METHYL GLUCAMINE, OCTANOIC HYDRAZIDE, 4-HEXADECYL SULFONYL ANILINE, A CONDUCTIVE COMPLEX OF AN AMINE COMPOUND WITH A PHOSPHORUS OR SULFUR-CONTAINING ACID XEROX CORPORATION 2002-04-16 US disclosed
US-6365223-B1 HYDROPHOBIC RESINS CONTAINING SULFUR, SUCH AS POLYTHIOETHERS, DIPPING INTO A LIQUID COMPRISING AN INORGANIC AND/OR AN ORGANIC ACID; THE ORGANIC ACID IS A MIXTURE OF A SULFONIC ACID COMPOUND AND A PHENOL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2002-04-02 US disclosed
US-20020037982-A1 Polymerization of olefins E. I. DU PONT DE NEMOURS AND COMPANY 2002-03-28 US disclosed
US-20020032289-A1 Catalysts for olefin polymerization E.I. DU PONT DE NEMOURS AND COMPANY 2002-03-14 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 (2 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-20100222531-A1 CATALYSTS FOR OLEFIN POLYMERIZATION PORCN, PUF60, CAD CYP3A4 3113/4885USP2 2830/4885MAPK1 1021/4885
US-20100029469-A1 CATALYSTS FOR OLEFIN POLYMERIZATION PORCN, PUF60, CAD CYP3A4 3113/4885USP2 2830/4885MAPK1 1021/4885

“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.