SCHEMBL1758779

SCHEMBL1758779

Oc1ccc2ccc3ccc(Br)cc3c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.48
TRPV1 Q8NER1 1/20 0.44
MCL1 Q07820 1/20 0.42
CYP2A6 P11509 1/20 0.41
CYP1A2 P05177 1/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
LMNA P02545 1/20 0.40
ERN1 O75460 1/20 0.40
ESR1 P03372 4/20 0.39
ESR2 Q92731 4/20 0.39
ESRRB O95718 1/20 0.39
ESRRA P11474 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
MIF P14174 1/20 0.39
ALK Q9UM73 1/20 0.39
RAD52 P43351 1/20 0.39
CYP3A4 P08684 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
SCHEMBL670670 0.84 CYP1A2 (0.52) ALOX15MCL1CYP1A2LMNAESR1
SCHEMBL1569370 0.84 CYP2A6 (0.52) ALOX15CYP2A6CYP1A2PLGPLAU
SCHEMBL29595200 0.84 CYP2A6 (0.52) ALOX15CYP2A6CYP1A2PLGPLAU
SCHEMBL30060950 0.80 CYP1A2 (0.56) ALOX15CYP2A6CYP1A2ERN1ESR1
SCHEMBL5280499 0.80 CYP1A2 (0.56) ALOX15CYP2A6CYP1A2ERN1ESR1
SCHEMBL49667 0.80 CYP1A2 (0.56) ALOX15CYP2A6CYP1A2ERN1ESR1
SCHEMBL1461934 0.79 ERN1 (0.52) ALOX15CYP2A6CYP1A2PLAULMNA
Methane SCHEMBL10835252 0.78 CYP1A2 (0.54) ALOX15CYP2A6CYP1A2ERN1ESR1
SCHEMBL534661 0.78 CYP1A2 (0.54) ALOX15MCL1CYP2A6CYP1A2ERN1
SCHEMBL31398211 0.78 CYP1A2 (0.54) ALOX15MCL1CYP2A6CYP1A2ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954683-B1 2-(PHENYL OR HETEROCYCLYL)-1H-PHENANTHRO(9,10-D)IMIDAZOLES AS MPGES-1 INHIBITORS MERCK CANADA INC (CA) 2016-03-02 EP disclosed
CN-101370787-B 2- (phenyl or heterocyclyl) -1H-phenanthro [9,10-d ] imidazoles as mPGES-1 inhibitors MERCK FROSST CANADA LTD 2011-05-25 CN disclosed
US-7943649-B2 2-(phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors MERCK FROSST CANADA LTD. (CA) 2011-05-17 US disclosed
US-20090192158-A1 Methods for Treating or Preventing Neoplasias MERCK FROSST CANADA LTD. (CA) 2009-07-30 US disclosed
US-20090075998-A1 2-(phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors MERCK CANADA INC. (CA) 2009-03-19 US disclosed
CN-101370787-A 2- (phenyl or heterocyclyl) -1H-phenanthro [9, 10-d ] imidazoles as mPGES-1 inhibitors MERCK FROSST CANADA LTD (CA) 2009-02-18 CN disclosed
EP-2019675-A1 METHODS FOR TREATING OR PREVENTING NEOPLASIAS Merck Frosst Canada Ltd. (CA) 2009-02-04 EP disclosed
US-7442716-B2 2-(phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors MERCK FROSST CANADA LTD. (CA) 2008-10-28 US disclosed
EP-1954683-A1 2-(PHENYL OR HETEROCYCLIC)-1H-PHENANTRHO(9,10-D)IMIDAZOLES AS MPGES-1 INHIBITORS Merck Frosst Canada Ltd. (CA) 2008-08-13 EP disclosed
WO-2007124589-A1 METHODS FOR TREATING OR PREVENTING NEOPLASIAS MERCK FROSST CANADA LTD. (CA) 2007-11-08 WO disclosed
US-20070208017-A1 2-(Phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors MERCK CANADA INC. (CA) 2007-09-06 US disclosed
WO-2007059610-A1 2-(PHENYL OR HETEROCYCLIC)-1H-PHENANTRHO[9,10-D]IMIDAZOLES AS MPGES-1 INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-05-31 WO disclosed
WO-2007059611-A1 2-(PHENYL OR HETEROCYCLIC)-1H-PHENANTRHO[9,10-D]IMIDAZOLES AS MPGES-1 INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-05-31 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-20090192158-A1 Methods for Treating or Preventing Neoplasias GSTO1, PTGS1, PTGES ALOX15 21/4885TRPV1 3032/4885MCL1 1738/4885
US-20070208017-A1 2-(Phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors PTGS1, PTGES, PTGES2 ALOX15 151/4885TRPV1 182/4885MCL1 1555/4885
US-20090075998-A1 2-(phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors PTGS1, PTGES, PTGES2 ALOX15 151/4885TRPV1 182/4885MCL1 1555/4885

“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.