SCHEMBL13784287

SCHEMBL13784287

O=C1c2cc(F)c3c4c(F)cc5c6c(cc(F)c(c7c(F)cc(c2c37)C(=O)N1CCc1ccccc1)c64)C(=O)N(CCc1ccccc1)C5=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.57
▸ MAPT P10636 5/20 0.57
▸ RAB9A P51151 3/20 0.57
▸ GAA P10253 3/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ CASP3 P42574 1/20 0.56
▸ PARK7 Q99497 5/20 0.51
▸ CYP1B1 Q16678 1/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ KMT2A Q03164 3/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ APAF1 O14727 1/20 0.48
▸ CASP1 P29466 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ CASP7 P55210 1/20 0.48
▸ ALDH2 P05091 3/20 0.48
▸ ALDH3A1 P30838 3/20 0.48
▸ GSK3A P49840 1/20 0.47

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
SCHEMBL13784286 0.89 ALDH1A1 (0.53) ALDH1A1MAPTRAB9AGAAKDM4E
SCHEMBL13784284 0.88 ALDH1A1 (0.55) ALDH1A1MAPTRAB9AGAAKDM4E
SCHEMBL13784295 0.84 NPSR1 (0.55) ALDH1A1MAPTCASP3CYP1B1KMT2A
SCHEMBL12744277 0.83 ALDH1A1 (0.59) ALDH1A1MAPTRAB9AGAAKDM4E
SCHEMBL13784290 0.83 CHRM5 (0.45) ALDH1A1MAPTRAB9AGAAKDM4E
SCHEMBL822573 0.82 ALDH1A1 (0.75) ALDH1A1MAPTRAB9AGAAKDM4E
SCHEMBL1142116 0.78 CASP3 (0.86) ALDH1A1MAPTRAB9AGAAKDM4E
SCHEMBL29724090 0.78 CASP3 (0.86) ALDH1A1MAPTRAB9AGAAKDM4E
SCHEMBL8040297 0.77 PARK7 (0.68) ALDH1A1MAPTRAB9AGAAKDM4E
SCHEMBL125857 0.77 CYP1B1 (0.58) ALDH1A1MAPTRAB9AGAAKDM4E

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 ALDH1A1 4226/4885MAPT 3001/4885RAB9A 559/4885

“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.

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