SCHEMBL2884838

SCHEMBL2884838

COC(=O)c1cc(C(=O)c2ccc(N)cc2)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
MAPT P10636 5/20 0.47
GAA P10253 4/20 0.47
HSD17B10 Q99714 4/20 0.47
HPGD P15428 4/20 0.47
KDM4E B2RXH2 4/20 0.47
GLA P06280 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
ATM Q13315 1/20 0.47
MAPK1 P28482 1/20 0.43
ABL1 P00519 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 4/20 0.41
CFTR P13569 2/20 0.40
TSHR P16473 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL7126697 0.86 KDM4E (0.56) ALDH1A1MAPTGAAHSD17B10HPGD
SCHEMBL559536 0.85 MAPT (0.50) ALDH1A1MAPTGAAHSD17B10HPGD
SCHEMBL193418 0.84 GAA (0.61) ALDH1A1MAPTGAAHSD17B10HPGD
SCHEMBL31633499 0.84 GAA (0.61) ALDH1A1MAPTGAAHSD17B10HPGD
Hydrochloric Acid SCHEMBL6162273 0.82 GAA (0.59) ALDH1A1MAPTGAAHSD17B10HPGD
SCHEMBL1401556 0.82 KDM4E (0.58) ALDH1A1MAPTGAAHSD17B10HPGD
SCHEMBL19680526 0.81 ALDH1A1 (0.49) ALDH1A1MAPTGAAHSD17B10HPGD
SCHEMBL2885616 0.80 ALDH1A1 (0.54) ALDH1A1MAPTGAAKDM4EMAPK1
SCHEMBL559181 0.80 MAPT (0.47) MAPTHPGDMAPK1ABL1LMNA
SCHEMBL1815890 0.79 RAB9A (0.54) ALDH1A1MAPTGAAHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286215-A1 BIS-AROMATIC COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION BIS-AROMATIC COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION 2010-11-11 US disclosed
EP-2185504-A2 BIS-AROMATIC COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2010-05-19 EP disclosed
WO-2009030887-A2 BIS-AROMATIC COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2009-03-12 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-20100286215-A1 BIS-AROMATIC COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION LTC4S, LTB4R2, LTB4R ALDH1A1 760/4885MAPT 3432/4885GAA 1421/4885

“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.