SCHEMBL6809579

SCHEMBL6809579

COC(=O)CCCCC(=O)c1ccc(F)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
DRD2 P14416 1/20 0.43
HTR7 P34969 1/20 0.42
TSHR P16473 1/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC1 Q13547 2/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
CHRNA1 P02708 1/20 0.40
CHRNG P07510 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
SCHEMBL15189645 0.90 CES2 (0.48) CES2CES1RAB9ATSHRMAPT
SCHEMBL6810006 0.88 PIM1 (0.46) RAB9ANPC1HTR7TSHRHDAC8
SCHEMBL7506850 0.84 NPC1 (0.44) RAB9ANPC1HTR7TSHRHDAC8
SCHEMBL25193546 0.83 MEN1 (0.54) CES2CES1RAB9AALDH1A1MEN1
SCHEMBL6814347 0.82 NPC1 (0.67) RAB9ANPC1HTR7TSHRHDAC8
SCHEMBL7389372 0.82 CES2 (0.50) CES2CES1RAB9ANPC1DRD2
SCHEMBL31073608 0.81 HSD17B3 (0.60) CES2CES1RAB9ANPC1HTR7
SCHEMBL31073614 0.81 HSD17B3 (0.60) CES2CES1RAB9ANPC1HTR7
SCHEMBL8742927 0.81 NPC1 (0.65) RAB9ANPC1HTR7TSHRHDAC8
SCHEMBL7505750 0.80 PTPRC (0.43) RAB9ANPC1TSHRMAPTALDH1A1

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-20040138287-A1 Novel 5-phenyl-1h-indole derivatives as antagonists of interleukine-8 receptors LABORATOIRES FOURNIER S.A. (FR) 2004-07-15 US disclosed
US-6605633-B1 Such as 5-Bromo-2-phenyl-1H-indole-3-butanoic acid FOURNIER INDUSTRIE ET SANTE (FR) 2003-08-12 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-20040138287-A1 Novel 5-phenyl-1h-indole derivatives as antagonists of interleukine-8 receptors CXCL8, IL1RN, CCR8 CES2 4174/4885CES1 2373/4885RAB9A 934/4885

“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.