SCHEMBL5175359

SCHEMBL5175359

CC(Br)c1ccc(OCCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
FFAR1 O14842 4/20 0.52
LTA4H P09960 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA7 P36544 1/20 0.45

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
SCHEMBL6616547 0.83 LMNA (0.56) RAB9ALTA4H
SCHEMBL15831172 0.82 NPC1 (0.56) NPC1RAB9AFFAR1LTA4HCA12
SCHEMBL9456979 0.82 NPC1 (0.80) NPC1RAB9AFFAR1LTA4HCA12
SCHEMBL15000373 0.81 FFAR1 (0.55) NPC1RAB9AFFAR1DRD2DRD4
SCHEMBL20429143 0.81 NPC1 (0.58) NPC1RAB9AFFAR1LTA4HCA12
SCHEMBL10695594 0.80 NPC1 (0.53) NPC1RAB9AFFAR1LTA4HCA12
SCHEMBL11728339 0.79 FFAR1 (0.53) NPC1RAB9AFFAR1LTA4HDRD2
SCHEMBL1070131 0.78 NPC1 (0.73) NPC1RAB9AFFAR1LTA4HCA12
Hydrochloric Acid SCHEMBL11743278 0.78 FFAR1 (0.51) NPC1RAB9AFFAR1LTA4HDRD2
SCHEMBL13140571 0.77 FFAR1 (0.67) NPC1RAB9AFFAR1LTA4H

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
EP-1868605-A2 PHENYL AND PYRIDYL LTA4H MODULATORS Janssen Pharmaceutica, N.V. (BE) 2007-12-26 EP disclosed
WO-2006105304-A2 PHENYL AND PYRIDYL LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 WO disclosed
US-20060223792-A1 Phenyl and pyridyl LTA4H modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 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-20060223792-A1 Phenyl and pyridyl LTA4H modulators LTA4H, LTB4R, LTC4S NPC1 1667/4885RAB9A 4254/4885FFAR1 532/4885

“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.