SCHEMBL13784281

SCHEMBL13784281

CCN1C(=O)c2cc(F)c3c4c(F)cc5c6c(cc(F)c(c7c(F)cc(c2c37)C1=O)c64)C(=O)N(CC)C5=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 5/20 0.46
PARK7 Q99497 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
MPI P34949 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
CLTC Q00610 1/20 0.37
MAPT P10636 2/20 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
SCHEMBL13784283 0.85 TERT (0.48) CYP1B1PARK7POLBALDH1A1LMNA
SCHEMBL19239502 0.85 CYP1B1 (0.43) CYP1B1PARK7POLBALDH1A1LMNA
SCHEMBL12235608 0.84 POLB (0.50) CYP1B1PARK7POLBALDH1A1LMNA
SCHEMBL13784277 0.83 CYP1B1 (0.47) CYP1B1PARK7POLBALDH1A1LMNA
SCHEMBL19239507 0.83 CYP1B1 (0.44) CYP1B1PARK7POLBALDH1A1LMNA
SCHEMBL16691730 0.83 ALDH1A1 (0.35) CYP1B1POLBALDH1A1LMNAKDM4E
SCHEMBL22327512 0.82 TERT (0.42) POLBALDH1A1LMNAKDM4EMEN1
SCHEMBL13784301 0.80 PTGS1 (0.46) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL9966943 0.78 ALDH1A1 (0.38) POLBALDH1A1KDM4EMEN1USP2
SCHEMBL19239495 0.77 CYP1B1 (0.51) CYP1B1PARK7POLBALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8350035-B2 Fluorinated rylenetetracarboxylic acid derivatives and use thereof BASF AKTIENGESELLSCHAFT (DE) 2013-01-08 US disclosed
US-20090166614-A1 FLUORINATED RYLENETETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2009-07-02 US 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-20090166614-A1 FLUORINATED RYLENETETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF FXR2, FXR1, FTO CYP1B1 2198/4885PARK7 3922/4885POLB 4068/4885

“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.