SCHEMBL13784277

SCHEMBL13784277

CCN1C(=O)c2ccc3c4c(F)cc5c6c(ccc(c7c(F)cc(c2c37)C1=O)c64)C(=O)N(CC)C5=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 5/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
TERT O14746 5/20 0.45
PIN1 Q13526 1/20 0.42
PIN4 Q9Y237 1/20 0.42
POLB P06746 1/20 0.42
CLTC Q00610 1/20 0.40
STAT3 P40763 1/20 0.40
HIF1A Q16665 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40

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 0.95 TERT (0.48) CYP1B1ALDH1A1KDM4ELMNAMEN1
SCHEMBL22327513 0.85 STAT3 (0.49) ALDH1A1KDM4ELMNAMEN1USP2
SCHEMBL16691729 0.85 STAT3 (0.41) CYP1B1ALDH1A1KDM4ELMNAMEN1
SCHEMBL10261652 0.84 CYP1B1 (0.57) CYP1B1ALDH1A1KDM4ELMNAMEN1
SCHEMBL13784281 0.83 CYP1B1 (0.46) CYP1B1ALDH1A1KDM4ELMNAMEN1
SCHEMBL13784297 0.83 STAT3 (0.47) ALDH1A1KDM4ELMNAMEN1USP2
SCHEMBL12869424 0.82 MEN1 (0.42) ALDH1A1KDM4EMEN1USP2KMT2A
SCHEMBL19239493 0.81 ALDH1A1 (0.61) CYP1B1ALDH1A1KDM4ELMNAMEN1
SCHEMBL12744274 0.80 CYP1B1 (0.56) CYP1B1ALDH1A1KDM4ELMNAMEN1
SCHEMBL13784291 0.80 NPSR1 (0.52) CYP1B1LMNAMEN1USP2KMT2A

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 2198/4885ALDH1A1 4226/4885KDM4E 1278/4885

“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.