SCHEMBL13784289

SCHEMBL13784289

O=C1c2ccc3c4c(F)cc5c6c(ccc(c7c(F)cc(c2c37)C(=O)N1CCc1ccc(C(F)(F)F)cc1)c64)C(=O)N(CCc1ccc(C(F)(F)F)cc1)C5=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CHRM5 P08912 2/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ ADRA1D P25100 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ ADRA1B P35368 1/20 0.40
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ CYP1B1 Q16678 1/20 0.39
▸ TERT O14746 3/20 0.39
▸ PLK1 P53350 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL13784288 0.96 TERT (0.41) CA1CA2CA9CHRM5CA12
SCHEMBL12744278 0.89 CYP1B1 (0.46) CA1CA2CA9CA12CA4
SCHEMBL13784290 0.89 CHRM5 (0.45) CA1CA2CA9CHRM5CA12
SCHEMBL13784293 0.88 CHRM5 (0.51) CA1CA2CA9CHRM5CA12
SCHEMBL12744285 0.86 CYP1B1 (0.46) CA1CA2CA9CA12CA4
SCHEMBL13784284 0.85 ALDH1A1 (0.55) CA1CA2CA9CA12CA4
SCHEMBL13784294 0.84 CHRM5 (0.50) CA1CA2CA9CHRM5CA12
SCHEMBL13784286 0.81 ALDH1A1 (0.53) CA1CA2CA9CA12CYP1B1
SCHEMBL13784710 0.81 CHRM5 (0.46) CA1CA2CA9CHRM5CA12
SCHEMBL12744286 0.78 CHRM5 (0.50) CA1CA2CA9CHRM5CA12

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 5 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-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
US-20090166614-A1 FLUORINATED RYLENETETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2009-07-02 — — US disclosed
WO-2007093643-A1 FLUORINATED RYLENETETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF BASF SE (DE) 2007-08-23 — — 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-20090166614-A1 FLUORINATED RYLENETETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF FXR2, FXR1, FTO CA1 143/4885CA2 1294/4885CA9 121/4885

“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.

Send feedback