SCHEMBL4046984

SCHEMBL4046984

Clc1ccc(/C=C/c2cc(Br)cs2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.48
ALOX5 P09917 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
CYP1A2 P05177 2/20 0.37
NFE2L2 Q16236 1/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC6 Q9UBN7 3/20 0.37
DAO P14920 1/20 0.37
GPR183 P32249 1/20 0.35
FBP1 P09467 1/20 0.35
HDAC2 Q92769 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 2/20 0.35
MAPT P10636 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35

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
SCHEMBL4046986 1.00 AHR (0.48) AHRALOX5PTGS1PTGS2CYP1A2
SCHEMBL20586075 0.81 LMNA (0.42) NFE2L2ALDH1A1MAPTKDM4EMEN1
SCHEMBL20586074 0.81 LMNA (0.42) NFE2L2ALDH1A1MAPTKDM4EMEN1
SCHEMBL2491537 0.79 NPC1 (0.40) ALDH1A1MAPK1MAPTKDM4EMEN1
SCHEMBL2491542 0.79 NPC1 (0.40) ALDH1A1MAPK1MAPTKDM4EMEN1
SCHEMBL19076277 0.77 TUBB1 (0.53) AHRALOX5PTGS1PTGS2CYP1A2
SCHEMBL1758043 0.75 AHR (0.58) AHRALOX5PTGS1PTGS2CYP1A2
SCHEMBL1758044 0.75 AHR (0.58) AHRALOX5PTGS1PTGS2CYP1A2
SCHEMBL1224259 0.74 MAPT (0.52) CYP1A2HDAC1MAPK1MAPTHDAC4
SCHEMBL1224260 0.74 MAPT (0.52) CYP1A2HDAC1MAPK1MAPTHDAC4

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
US-20090209571-A1 Phenanthrene derivatives as MPGES-1 inhibitors CELLUMEN INC. 2009-08-20 US disclosed
EP-2024371-A1 PHENANTHRENE DERIVATIVES AS MPGES-1 INHIBITORS Merck Frosst Canada Ltd. (CA) 2009-02-18 EP disclosed
WO-2007134434-A1 PHENANTHRENE DERIVATIVES AS MPGES-1 INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-11-29 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 (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-20090209571-A1 Phenanthrene derivatives as MPGES-1 inhibitors PTGES, PTGS1, PTGES2 AHR 62/4885ALOX5 156/4885PTGS1 2/4885

“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.