SCHEMBL2243501

SCHEMBL2243501

CC(C)C(O)(c1ccc(OCc2ccccn2)cc1)c1ccc(-c2nnc(N)o2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.49
▸ KDM4E B2RXH2 6/20 0.48
▸ HSD17B10 Q99714 3/20 0.48
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ TP53 P04637 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ PARP10 Q53GL7 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ HPGD P15428 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ADAMTS4 O75173 1/20 0.40
▸ MAPK14 Q16539 3/20 0.40
▸ SMO Q99835 3/20 0.40
▸ SYK P43405 2/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ NOTUM Q6P988 1/20 0.39
▸ MAOB P27338 1/20 0.38

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
SCHEMBL2252037 0.89 ALOX5AP (0.54) ALOX5APKDM4EHSD17B10NPC1RAB9A
SCHEMBL2249273 0.87 KDM4E (0.49) ALOX5APKDM4EHSD17B10NPC1RAB9A
SCHEMBL2245993 0.82 KDM4E (0.50) ALOX5APKDM4EHSD17B10NPC1RAB9A
SCHEMBL2251852 0.79 KDM4E (0.46) ALOX5APKDM4EHSD17B10NPC1RAB9A
SCHEMBL2247962 0.78 KDM4E (0.46) ALOX5APKDM4EHSD17B10NPC1RAB9A
SCHEMBL2253265 0.78 KDM4E (0.46) ALOX5APKDM4EHSD17B10NPC1RAB9A
SCHEMBL2245351 0.77 KDM4E (0.45) ALOX5APKDM4EHSD17B10NPC1RAB9A
SCHEMBL2246150 0.77 KDM4E (0.47) KDM4EHSD17B10NPC1RAB9ATP53
SCHEMBL2252020 0.76 KDM4E (0.46) KDM4EHSD17B10NPC1RAB9ATP53
SCHEMBL13248540 0.75 ALOX5AP (0.52) ALOX5APKDM4EHSD17B10NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729104-B2 Diphenyl substituted alkanes as flap inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-20 — — US disclosed
US-20110190346-A1 Diphenyl Substituted Alkanes as Flap Inhibitors MERCK SHARP & DOHME CORP. (US) 2011-08-04 — — US disclosed
EP-1814877-B1 DIPHENYL SUBSTITUTED ALKANES AS FLAP INHIBITORS MERCK & CO INC (US) 2009-03-11 — — EP disclosed
US-20070287736-A1 Diphenyl Substituted Alkanes as Flap Inhibitors MERCK SHARP & DOHME CORP. 2007-12-13 — — US disclosed
WO-2006044602-A9 DIPHENYL SUBSTITUTED ALKANES AS FLAP INHIIBITORS MERCK & CO INC (US) 2006-06-08 — — 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 (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-20110190346-A1 Diphenyl Substituted Alkanes as Flap Inhibitors ALOX5, ALOX15, ALOX15B ALOX5AP 10/4885KDM4E 2100/4885HSD17B10 675/4885
US-20070287736-A1 Diphenyl Substituted Alkanes as Flap Inhibitors ALOX5, ALOX15, ALOX15B ALOX5AP 10/4885KDM4E 2100/4885HSD17B10 675/4885

“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.

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