SCHEMBL1696378

SCHEMBL1696378

CCCc1cccc(C(=O)OC)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.76
CYP4A11 Q02928 3/20 0.76
LOXL2 Q9Y4K0 1/20 0.68
SLC7A5 Q01650 1/20 0.57
MRGPRX4 Q96LA9 2/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 1/20 0.54
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HIF1A Q16665 1/20 0.51
KAT6A Q92794 1/20 0.51
TSHR P16473 1/20 0.50
FOLH1 Q04609 1/20 0.50
PARP1 P09874 1/20 0.50
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
KMT2A Q03164 1/20 0.49
MDH1 P40925 1/20 0.48

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
SCHEMBL70173 0.91 CYP4F2 (0.83) CYP4F2CYP4A11LOXL2SLC7A5MRGPRX4
SCHEMBL13554034 0.91 CYP4F2 (0.63) CYP4F2CYP4A11LOXL2SLC7A5ALDH1A1
SCHEMBL1792728 0.90 CYP4A11 (0.75) CYP4F2CYP4A11LOXL2SLC7A5MRGPRX4
SCHEMBL28398121 0.88 CYP4F2 (0.58) CYP4F2CYP4A11LOXL2SLC7A5MRGPRX4
SCHEMBL126284 0.87 LOXL2 (0.74) CYP4F2CYP4A11LOXL2SLC7A5MRGPRX4
SCHEMBL15174508 0.87 CYP4F2 (0.76) CYP4F2CYP4A11LOXL2SLC7A5MDH1
SCHEMBL26239703 0.87 CYP4F2 (0.76) CYP4F2CYP4A11LOXL2SLC7A5MDH1
SCHEMBL15174613 0.87 CYP4F2 (0.76) CYP4F2CYP4A11LOXL2SLC7A5MDH1
SCHEMBL46931 0.86 CYP4A11 (1.00) CYP4F2CYP4A11LOXL2SLC7A5MRGPRX4
SCHEMBL10609527 0.86 CYP4F2 (0.76) CYP4F2CYP4A11LOXL2SLC7A5MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102834420-B Internal and external donor compounds for olefin polymerization catalysts ii BASF CORP. (US) 2014-10-22 CN claimed
CN-104080824-A Internal electron donors for olefin polymerization catalysts, methods of making and using the same BASF CORP 2014-10-01 CN claimed
US-8569195-B2 Internal and external donor compounds for olefin polymerization catalysts II BASF CORPORATION (US) 2013-10-29 US claimed
EP-2539375-A2 INTERNAL AND EXTERNAL DONOR COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS II BASF Corporation (US) 2013-01-02 EP claimed
CN-102834420-A Internal and external donor compounds for olefin polymerization catalysts ii BASF CORP 2012-12-19 CN claimed
WO-2011106480-A2 INTERNAL AND EXTERNAL DONOR COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS II BASF CORPORATION (US) 2011-09-01 WO claimed
US-20110207901-A1 INTERNAL AND EXTERNAL DONOR COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS II BASF CATALYSTS LLC (US) 2011-08-25 US claimed
US-11241436-B2 Autophagy inducers for treatment of CNS conditions NORTHWESTERN UNIVERSITY (US) 2022-02-08 US disclosed
US-10301314-B2 Compounds and methods for the prevention and treatment of tumor metastasis and tumorigenesis THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-05-28 US disclosed
US-20180162854-A1 Inhibitors of Leukotriene A4 Hydrolase CELLTAXIS, LLC 2018-06-14 US disclosed
EP-3118226-A1 HIGH ACTIVITY CATALYST FOR OLEFIN POLYMERIZATION BASF Corporation (US) 2017-01-18 EP disclosed
EP-2782938-B1 HIGH ACTIVITY CATALYST FOR OLEFIN POLYMERIZATION BASF CORP (US) 2016-08-31 EP disclosed
US-9321739-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. (US) 2016-04-26 US disclosed
US-7453002-B2 thrombotic or an inflammatory disorders; improved factor XIa and/or plasma kallikrein inhibitory activity and selectivity, dosage requirment, costs or feasibility, side effect reduction; 4-(aminomethyl)-N-[2-phenyl-1-(4-pyridin-2-yl-1H-imidazol-2-yl)ethyl]-trans-cyclohexanecarboxamide BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
US-20080146564-A1 1,3-Dihydro-Benzimidazol-2-Ylidene Amines as Inhibitors of Respiratory Syncytial Virus Replication JANSSEN SCIENCES IRELAND UC (IE) 2008-06-19 US disclosed
EP-1131290-B1 PIPERIDINE CCR-3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-02-20 EP disclosed
US-7300936-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-27 US disclosed
CN-1735592-A Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LTD (GB) 2006-02-15 CN disclosed
US-6770650-B2 CHEMOKINE RECEPTOR (CCR) ANTAGONISTS SUCH AS N-(1(S)-(4-(3,4-DICHLOROBENZYL)PIPERAZIN-1-YLMETHYL)-2-METHYLPROPYL)-4 -METHYLBENZAMIDE DIHYDROCHLORIDE SALT FOR TREATMENT OF ASTHMA SYNTEX (U.S.A.) LLC 2004-08-03 US disclosed
WO-2004024728-A2 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-03-25 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-20080146564-A1 1,3-Dihydro-Benzimidazol-2-Ylidene Amines as Inhibitors of Respiratory Syncytial Virus Replication H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR1, RTF2 CYP4F2 3745/4885CYP4A11 3902/4885LOXL2 1928/4885
US-10301314-B2 Compounds and methods for the prevention and treatment of tumor metastasis and tumorigenesis PGF, BRCA1, RB1 CYP4F2 1035/4885CYP4A11 510/4885LOXL2 3042/4885
US-20180162854-A1 Inhibitors of Leukotriene A4 Hydrolase LTA4H, LTC4S, LTB4R CYP4F2 404/4885CYP4A11 164/4885LOXL2 95/4885
US-11241436-B2 Autophagy inducers for treatment of CNS conditions SQSTM1, ATG7, BECN1 CYP4F2 1083/4885CYP4A11 1410/4885LOXL2 3350/4885

“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.