SCHEMBL455828

SCHEMBL455828

Cc1[c]c(C)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 2/20 0.38
CES2 O00748 1/20 0.37
XPO1 O14980 2/20 0.35
IDO1 P14902 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
MAPT P10636 1/20 0.33
IKBKB O14920 1/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
KIF11 P52732 1/20 0.32
NFE2L2 Q16236 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HIF1A Q16665 1/20 0.31
TXNRD1 Q16881 1/20 0.31
TXNRD3 Q86VQ6 1/20 0.31

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
SCHEMBL698918 0.84 RAPGEF4 (0.35) RAPGEF4CES2XPO1ALDH1A1TSHR
SCHEMBL4194881 0.80 RAPGEF4 (0.31) RAPGEF4
SCHEMBL4195232 0.80 RAPGEF4 (0.34) RAPGEF4IDO1
SCHEMBL698163 0.79
SCHEMBL288176 0.79
SCHEMBL698150 0.75 NR1H2 (0.42) TSHRALOX15
SCHEMBL698153 0.75
SCHEMBL140254 0.74 POLB (0.46) ALDH1A1TSHRMAPTRXRARXRB
SCHEMBL8604961 0.74 ALOX15 (0.39) ALDH1A1TSHRCYP3A4HPGDALOX15
SCHEMBL697793 0.74

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 127 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10294171-B2 Carbonyl-containing perfluorohydrocarbyl-N2-phosphinyl amidine compounds, chromium salt complexes and their use to oligomerize ethylene CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2019-05-21 US claimed
US-20190092708-A1 Carbonyl-Containing Perfluorohydrocarbyl-N2-Phosphinyl Amidine Compounds, Chromium Salt Complexes and Their Use to Oligomerize Ethylene CHEVRON PHILLIPS CHEMICAL COMPANY LP 2019-03-28 US claimed
US-8309735-B2 Heterocyclic compounds for the inhibition of integrins and use thereof SHIRE ORPHAN THERAPIES GMBH (DE) 2012-11-13 US claimed
US-20090203745-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2009-08-13 US claimed
EP-2059502-A2 PROLINE UREA CCR1 ANTAGONISTS FOR THE TREATMENT OF AUTOIMMUNE DISEASES OR INFLAMMATION LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-05-20 EP claimed
US-20090104116-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2009-04-23 US claimed
EP-2024357-A2 NEW HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF Jereni AG (DE) 2009-02-18 EP claimed
EP-1979342-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF Jerini AG (DE) 2008-10-15 EP claimed
WO-2008011392-A2 PROLINE UREA CCR1 ANTAGONISTS FOR THE TREATMENT OF AUTOIMMUNE DISEASES OR INFLAMMATION LIGAND PHARMACUETICALS INCORPORATED (US) 2008-01-24 WO claimed
WO-2007131764-A2 NEW HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2007-11-22 WO claimed
WO-2007088041-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2007-08-09 WO claimed
US-10294171-B2 Carbonyl-containing perfluorohydrocarbyl-N2-phosphinyl amidine compounds, chromium salt complexes and their use to oligomerize ethylene CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2019-05-21 US disclosed
US-20190092708-A1 Carbonyl-Containing Perfluorohydrocarbyl-N2-Phosphinyl Amidine Compounds, Chromium Salt Complexes and Their Use to Oligomerize Ethylene CHEVRON PHILLIPS CHEMICAL COMPANY LP 2019-03-28 US disclosed
EP-3045450-B1 INTERMEDIATE COMPOUNDS IN PROCESSES FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2018-02-07 EP disclosed
CN-104277004-B Prepare method and its intermediate of pyridazinone compound 住友化学株式会社 2016-08-24 CN disclosed
EP-0975682-A1 GROUP 8-10 TRANSITION METAL OLEFIN POLYMERIZATION CATALYSTS EASTMAN CHEMICAL COMPANY (US) 2000-02-02 EP disclosed
EP-0966490-A2 CATALYST COMPOSITIONS FOR THE POLYMERIZATION OF OLEFINS EASTMAN CHEMICAL COMPANY (US) 1999-12-29 EP disclosed
WO-1999062968-A1 SUPPORTED GROUP 8-10 TRANSITION METAL OLEFIN POLYMERIZATION CATALYSTS EASTMAN CHEMICAL COMPANY (US) 1999-12-09 WO disclosed
WO-1998047933-A1 GROUP 8-10 TRANSITION METAL OLEFIN POLYMERIZATION CATALYSTS EASTMAN CHEMICAL COMPANY (US) 1998-10-29 WO disclosed
WO-1998040420-A2 CATALYST COMPOSITIONS FOR THE POLYMERIZATION OF OLEFINS EASTMAN CHEMICAL COMPANY (US) 1998-09-17 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 (4 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-20090203745-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF ITGB1, ITGA2, ITGB2 RAPGEF4 2101/4885CES2 4129/4885XPO1 1439/4885
US-20190092708-A1 Carbonyl-Containing Perfluorohydrocarbyl-N2-Phosphinyl Amidine Compounds, Chromium Salt Complexes and Their Use to Oligomerize Ethylene AFF1, FRG1, AFF4 RAPGEF4 3179/4885CES2 1653/4885XPO1 647/4885
US-10294171-B2 Carbonyl-containing perfluorohydrocarbyl-N2-phosphinyl amidine compounds, chromium salt complexes and their use to oligomerize ethylene AFF1, FRG1, AFF4 RAPGEF4 3179/4885CES2 1653/4885XPO1 647/4885
US-20090104116-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF ITGA1, ITGB1, ITGA5 RAPGEF4 2350/4885CES2 4589/4885XPO1 1548/4885

“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.