SCHEMBL5438744

SCHEMBL5438744

Clc1ccc(OCCN2CCCCC2)cc1

nearest known ligand 0.87

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.87
PTGS2 P35354 1/20 0.87
HRH3 Q9Y5N1 15/20 0.79
PSMB1 P20618 1/20 0.70
PSMB5 P28074 1/20 0.70
PSMB2 P49721 1/20 0.70
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68

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
SCHEMBL14970686 1.00 LTA4H (0.87) LTA4HPTGS2HRH3PSMB1PSMB5
Hydrochloric Acid SCHEMBL14966884 0.98 LTA4H (0.84) LTA4HPTGS2HRH3PSMB1PSMB5
SCHEMBL7819691 0.98 LTA4H (0.90) LTA4HPTGS2HRH3PSMB1PSMB5
SCHEMBL7134872 0.90 LTA4H (1.00) LTA4HPTGS2HRH3PSMB1PSMB5
SCHEMBL21004113 0.89 HRH3 (0.84) LTA4HPTGS2HRH3MEN1KMT2A
SCHEMBL11093348 0.88 HRH3 (1.00) LTA4HPTGS2HRH3MEN1KMT2A
SCHEMBL491769 0.86 HRH3 (0.97) LTA4HPTGS2HRH3MEN1KMT2A
SCHEMBL12204133 0.86 PSMB1 (0.83) LTA4HPTGS2HRH3PSMB1PSMB5
SCHEMBL3578646 0.85 HRH3 (0.90) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL12440469 0.85 MCHR1 (0.78) LTA4HPTGS2HRH3

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-20070191429-A1 PPAR ACTIVATORS PFIZER INC. (US) 2007-08-16 US disclosed
US-20040019052-A1 Pyrazolopyridines and pyrazolopyridazines as antidabetics SMITHKLINE BEECHAM P.L.C. (GB) 2004-01-29 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 (2 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-20070191429-A1 PPAR ACTIVATORS PPARA, PPARG, PPARD LTA4H 803/4885PTGS2 831/4885HRH3 2959/4885
US-20040019052-A1 Pyrazolopyridines and pyrazolopyridazines as antidabetics PDXK, GCK, IAPP LTA4H 2800/4885PTGS2 3578/4885HRH3 3252/4885

“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.