SCHEMBL4696777

SCHEMBL4696777

Cc1cc(C)c(Br)c(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 4/20 0.39
APEX1 P27695 1/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA1 P00915 1/20 0.38
CA6 P23280 1/20 0.38
ALDH1A1 P00352 7/20 0.36
MAPK1 P28482 2/20 0.36
ALDH2 P05091 1/20 0.34
ALDH3A1 P30838 1/20 0.34
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
GAA P10253 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
ACHE P22303 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL1966924 0.84 APEX1 (0.53) RAPGEF4APEX1CA2CA4CA1
SCHEMBL156826 0.84 RAPGEF4 (0.45) RAPGEF4CA2CA1ALDH1A1MAPK1
SCHEMBL1109753 0.81 RAPGEF4 (0.43) RAPGEF4CA2CA1ALDH1A1MAPK1
SCHEMBL29844353 0.79 AHR (0.34) RAPGEF4APEX1ALDH1A1MAPK1TSHR
SCHEMBL7111469 0.77 TDP1 (0.41) APEX1CA2CA4CA1CA6
SCHEMBL30101957 0.77 RAPGEF4 (0.39) RAPGEF4CA2CA1ALDH1A1MAPK1
SCHEMBL459156 0.77 RAPGEF4 (0.39) RAPGEF4ALDH1A1ALDH2ALDH3A1MAPT
SCHEMBL29822788 0.73 TDP1 (0.43) APEX1CA2CA4CA1CA6
SCHEMBL180492 0.73 TDP1 (0.43) APEX1CA2CA4CA1CA6
SCHEMBL2226316 0.72 APEX1 (0.35) RAPGEF4APEX1CA2CA4ALDH1A1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109790091-B Substituted bis (trifluorovinyl) benzene compounds 东曹精细化工株式会社 2021-06-15 CN disclosed
EP-3521266-B1 SUBSTITUTED BIS(TRIFLUOROVINYL)BENZENE COMPOUND TOSOH FINECHEM CORP (JP) 2021-03-24 EP disclosed
US-10654779-B2 Substituted bis(trifluorovinyl)benzene compound TOSOH FINECHEM CORPORATION (JP) 2020-05-19 US disclosed
US-20200017429-A1 SUBSTITUTED BIS(TRIFLUOROVINYL)BENZENE COMPOUND TOSOH FINECHEM CORPORATION (JP) 2020-01-16 US disclosed
EP-3521266-A1 SUBSTITUTED BIS(TRIFLUOROVINYL)BENZENE COMPOUND Tosoh Finechem Corporation (JP) 2019-08-07 EP disclosed
US-20100010058-A1 Azoline Compounds for Combating Arthropod Pests BASF SE (DE) 2010-01-14 US disclosed
CN-100455570-C Quinolinone/benzo  oxazinone derivatives and uses thereof HOFFMANN LA ROCHE (CH) 2009-01-28 CN disclosed
US-20080312085-A1 Pesticidal Compositions BASF SE (DE) 2008-12-18 US disclosed
US-20080312085-A1 Pesticidal Compositions BASF SE (DE) 2008-12-18 US disclosed
EP-1954673-A1 HYDROXY-SUBSTITUTED DIPHENYLAZETIDINONES FOR THE TREATMENT OF HYPERLIPIDAEMIA Sanofi-Aventis Deutschland GmbH (DE) 2008-08-13 EP disclosed
WO-2007147701-A1 AZOLINE COMPOUNDS FOR COMBATING ARTHROPOD PESTS BASF SE (DE) 2007-12-27 WO disclosed
WO-2007071585-A1 PESTCIDAL COMPOSITIONS BASF SE (DE) 2007-06-28 WO disclosed
WO-2007059871-A1 HYDROXY-SUBSTITUTED DIPHENYLAZETIDINONES FOR THE TREATMENT OF HYPERLIPIDAEMIA SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-31 WO disclosed
CN-1759101-A Quinolinone / benzoxazinone derivatives and uses thereof HOFFMANN LA ROCHE (CH) 2006-04-12 CN 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-10654779-B2 Substituted bis(trifluorovinyl)benzene compound TCF7L2, AFF1, TYR RAPGEF4 4295/4885APEX1 2900/4885CA2 2361/4885
US-20200017429-A1 SUBSTITUTED BIS(TRIFLUOROVINYL)BENZENE COMPOUND TCF7L2, AFF1, TYR RAPGEF4 4295/4885APEX1 2900/4885CA2 2361/4885
US-20100010058-A1 Azoline Compounds for Combating Arthropod Pests NR0B1, NR4A1, NR4A3 RAPGEF4 1810/4885APEX1 1668/4885CA2 1049/4885
US-20080312085-A1 Pesticidal Compositions ANXA1, PRDX1, PRDX2 RAPGEF4 2837/4885APEX1 104/4885CA2 140/4885

“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.