SCHEMBL4693229

SCHEMBL4693229

OCC1CCCCN1CCOc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.60
SPHK2 Q9NRA0 8/20 0.60
SPHK1 Q9NYA1 7/20 0.60
HTT P42858 2/20 0.57
ESR1 P03372 2/20 0.57
ESRRG P62508 2/20 0.57
KDM4E B2RXH2 4/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HRH3 Q9Y5N1 2/20 0.51
NPY1R P25929 1/20 0.51

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
SCHEMBL7137303 0.86 LTA4H (0.64) LTA4HSPHK2SPHK1ESR1ESRRG
SCHEMBL4691014 0.86 ESR1 (0.62) ESR1ESRRGHRH3
SCHEMBL7246214 0.83 ESR1 (0.54) LTA4HHTTESR1ESRRG
SCHEMBL7253482 0.82 SPHK1 (0.55) SPHK2SPHK1ESR1ESRRGKDM4E
Hydrochloric Acid SCHEMBL7244122 0.82 ESR1 (0.55) LTA4HHTTESR1ESRRG
SCHEMBL7242510 0.82 KDM4E (0.57) LTA4HHTTKDM4ENPC1RAB9A
Bromide SCHEMBL7248838 0.81 LTA4H (0.51) LTA4HSPHK2SPHK1HTTESR1
SCHEMBL5888840 0.81 TMEM97 (0.57) LTA4H
SCHEMBL3183967 0.80 SPHK2 (0.53) LTA4HSPHK2SPHK1HTTKDM4E
Bromide SCHEMBL7248969 0.80 TMEM97 (0.56) LTA4HNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008100564-A1 LTA4H MODULATORS AND USES THEROF JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-21 WO disclosed
EP-1660492-B1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2008-08-20 EP disclosed
US-20080194630-A1 Leukotriene A-4 hydrolase inhibitors; antiinflammatory agents; skin disorders; analgesics; stroke; anticancer agents; antiallergens; rhinitis;cystic fibrosis;sepsis JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-14 US disclosed
WO-2005012297-A9 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2007-01-04 WO disclosed
EP-1660491-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-31 EP disclosed
EP-1660492-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS Janssen Pharmaceutica N.V. (BE) 2006-05-31 EP disclosed
US-20050043379-A1 LTA4H Modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 US disclosed
US-20050043378-A1 Leukotriene hydrolases inhibitors; antiinflamamtory agents; inflamamtory bowel disorders; antihistamines; chronic obstructive pulmonary diseases; multiple sclerosis; antiarthritic agents JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 US disclosed
WO-2005012297-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 WO disclosed
WO-2005012296-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 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 (3 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-20080194630-A1 Leukotriene A-4 hydrolase inhibitors; antiinflammatory agents; skin disorders; analgesics; stroke; anticancer agents; antiallergens; rhinitis;cystic fibrosis;sepsis LTA4H, LTC4S, LTB4R LTA4H 1/4885SPHK2 943/4885SPHK1 586/4885
US-20050043378-A1 Leukotriene hydrolases inhibitors; antiinflamamtory agents; inflamamtory bowel disorders; antihistamines; chronic obstructive pulmonary diseases; multiple sclerosis; antiarthritic agents LTA4H, LTC4S, LTB4R LTA4H 1/4885SPHK2 1600/4885SPHK1 1071/4885
US-20050043379-A1 LTA4H Modulators LTA4H, LTB4R, LTB4R2 LTA4H 1/4885SPHK2 742/4885SPHK1 554/4885

“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.