SCHEMBL21218754

SCHEMBL21218754

Cc1c(Br)cc(Br)c(C)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 2/20 0.34
CA2 P00918 2/20 0.33
CA4 P22748 2/20 0.33
NQO2 P16083 1/20 0.33
ATM Q13315 1/20 0.32
CA1 P00915 1/20 0.32
CA6 P23280 1/20 0.32
APEX1 P27695 1/20 0.32
ACP1 P24666 2/20 0.31
AHR P35869 2/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 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
SCHEMBL1245480 0.83 GAA (0.36) GAAALDH1A1MEN1KMT2AHPGD
SCHEMBL2608093 0.81 TSHR (0.33) GAAALDH1A1TSHRCA2CA4
SCHEMBL525085 0.78 CA1 (0.48) GAAALDH1A1MEN1KMT2AHPGD
SCHEMBL27557541 0.78 GAA (0.34) GAAALDH1A1MEN1KMT2AHPGD
SCHEMBL22112316 0.78 ACHE (0.46) GAAALDH1A1MEN1KMT2AHPGD
SCHEMBL12689887 0.78 HDAC1 (0.37) GAAALDH1A1MEN1KMT2AHPGD
SCHEMBL31026375 0.76 TSHR (0.31) TSHRCA2NQO2CA1
SCHEMBL8374077 0.76 CA1 (0.46) GAAALDH1A1MEN1KMT2AHPGD
SCHEMBL2266180 0.76 CA2 (0.40) NPSR1TSHRCA2CA4NQO2
SCHEMBL524143 0.74 CA2 (0.56) ALDH1A1MEN1KMT2AHPGDTSHR

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 6 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
CN-109790091-A Replace bis- (trifluoro vinyl) benzene compounds 东曹精细化工株式会社 2019-05-21 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 (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-10654779-B2 Substituted bis(trifluorovinyl)benzene compound TCF7L2, AFF1, TYR GAA 726/4885ALDH1A1 1738/4885MEN1 2025/4885
US-20200017429-A1 SUBSTITUTED BIS(TRIFLUOROVINYL)BENZENE COMPOUND TCF7L2, AFF1, TYR GAA 726/4885ALDH1A1 1738/4885MEN1 2025/4885

“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.