SCHEMBL4240428

SCHEMBL4240428

Cc1c(C)c(C#N)c(C#N)c(C#N)c1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 6/20 0.36
HPGD P15428 4/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
MAPT P10636 3/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
APOBEC3G Q9HC16 3/20 0.33
HTT P42858 2/20 0.33
ALOX15 P16050 2/20 0.33
HSD17B10 Q99714 2/20 0.33
GLA P06280 1/20 0.33
TSHR P16473 1/20 0.33
HAVCR2 Q8TDQ0 1/20 0.32
CYP2A6 P11509 1/20 0.32
GRM6 O15303 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
SCHEMBL31070867 1.00 ATM (0.41) ATMALDH1A1KDM4EHPGDMEN1
SCHEMBL11445487 0.96 ATM (0.39) ATMALDH1A1KDM4EHPGDMEN1
SCHEMBL8958604 0.92 ATM (0.41) ATMALDH1A1KDM4EHPGDMEN1
SCHEMBL16747678 0.92 ALDH1A1 (0.42) ATMALDH1A1KDM4EHPGDMEN1
SCHEMBL22736981 0.89 ALDH1A1 (0.41) ATMALDH1A1KDM4EHPGDMEN1
SCHEMBL12295133 0.88 ALDH1A1 (0.44) ATMALDH1A1KDM4EHPGDMEN1
SCHEMBL2154732 0.88 ALDH1A1 (0.39) ATMALDH1A1KDM4EHPGDMEN1
Water SCHEMBL28241249 0.88 ALDH1A1 (0.39) ATMALDH1A1KDM4EHPGDMEN1
SCHEMBL13389003 0.85 ALDH1A1 (0.37) ATMALDH1A1KDM4EHPGDMEN1
SCHEMBL22653028 0.83 ATM (0.33) ATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009156623-A1 NOVEL MESOMORPHIC MACROMOLECULAR ORGANIC SEMICONDUCTOR MATERIALS COMMISSARIAT A L´ENERGIE ATOMIQUE (FR) 2009-12-30 WO claimed
CN-118026872-A 2-Amino dimethyl terephthalate eutectic and preparation method thereof 天津大学 2024-05-14 CN disclosed
CN-118026870-A 2-Amino dimethyl terephthalate-tetracyanobenzene eutectic crystal and preparation method and application thereof 天津大学 2024-05-14 CN disclosed
US-8809451-B2 Fluorinated dicarboxylic acid derivative and polymer obtained therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2014-08-19 US disclosed
US-8809451-B2 Fluorinated dicarboxylic acid derivative and polymer obtained therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2014-08-19 US disclosed
US-20110301305-A1 Fluorinated Dicarboxylic Acid Derivative and Polymer Obtained Therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2011-12-08 US disclosed
US-20110301305-A1 Fluorinated Dicarboxylic Acid Derivative and Polymer Obtained Therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2011-12-08 US disclosed
WO-2010095678-A1 FLUORINATED DICARBOXYLIC ACID DERIVATIVE AND POLYMER OBTAINED THEREFROM セントラル硝子株式会社 (JP) 2010-08-26 WO disclosed
WO-2009156623-A1 NOVEL MESOMORPHIC MACROMOLECULAR ORGANIC SEMICONDUCTOR MATERIALS COMMISSARIAT A L´ENERGIE ATOMIQUE (FR) 2009-12-30 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 (1 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-20110301305-A1 Fluorinated Dicarboxylic Acid Derivative and Polymer Obtained Therefrom MCCC2, AFF2, F13A1 ATM 3040/4885ALDH1A1 181/4885KDM4E 2650/4885

“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.