SCHEMBL5008334

SCHEMBL5008334

Cc1nc2c(c(C)cc3ncccc32)c(C)c1C.Cc1nc2c(c(C)cc3ncccc32)c(C)c1C.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Pd+2]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
MAPT P10636 7/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
POLB P06746 2/20 0.38
CYP1A2 P05177 5/20 0.37
CYP2C19 P33261 4/20 0.37
CYP3A4 P08684 2/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CCR1 P32246 1/20 0.36
CCR8 P51685 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CTSB P07858 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL992447 0.91 CCR1 (0.42) ALDH1A1SMN1; SMN2MAPTL3MBTL1CYP1A2
SCHEMBL28622581 0.89 CCR1 (0.41) ALDH1A1SMN1; SMN2MAPTL3MBTL1CYP1A2
SCHEMBL27734736 0.89 CCR1 (0.41) ALDH1A1SMN1; SMN2MAPTL3MBTL1CYP1A2
SCHEMBL8693066 0.71 MEN1 (0.48) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL1133753 0.70 CCR1 (0.57) ALDH1A1SMN1; SMN2MAPTL3MBTL1CYP3A4
SCHEMBL6266381 0.70 L3MBTL1 (0.52) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL2220405 0.69 DHODH (0.41) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL9053958 0.69 CCR1 (0.56) ALDH1A1SMN1; SMN2MAPTL3MBTL1CYP3A4
SCHEMBL11942827 0.68 HSP90AA1 (0.55) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL8654916 0.67 CCR1 (0.61) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT

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
EP-1637514-B1 METHOD FOR PRODUCING FLUORINE-CONTAINING ACRYLATE TOSOH F TECH INC (JP) 2014-05-07 EP disclosed
US-7470808-B2 Method for producing fluorine-containing acrylate TOSOH F-TECH, INC. (JP) 2008-12-30 US disclosed
US-20060183937-A1 Alpha-pentafluoroethylacrylic acid derivative and process for producing the same TOSOH F-TECH, INC. (JP) 2006-08-17 US disclosed
US-20060122423-A1 Method for producing fluorine-containing acrylate SAGAMI CHEMICAL RESEARCH CENTER (JP) 2006-06-08 US disclosed
EP-1637514-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING ACRYLATE Tosoh F-Tech, Inc. (JP) 2006-03-22 EP disclosed
EP-1623969-A1 ALPHA-PENTAFLUOROETHYLACRYLIC ACID DERIVATIVE AND PROCESS FOR PRODUCING THE SAME Tosoh F- Tech Inc. (JP) 2006-02-08 EP 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-20060183937-A1 Alpha-pentafluoroethylacrylic acid derivative and process for producing the same PFAS, FFAR1, FGB ALDH1A1 62/4885SMN1; SMN2 3859/4885MEN1 1637/4885
US-20060122423-A1 Method for producing fluorine-containing acrylate AFF4, CBR1, AFF1 ALDH1A1 174/4885SMN1; SMN2 3756/4885MEN1 3954/4885

“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.