SCHEMBL541946

SCHEMBL541946

CCn1c2ccc(C=O)cc2c2cc(OC)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 1.00
KDM4E B2RXH2 5/20 0.52
GRIK2 Q13002 2/20 0.51
GRIK1 P39086 1/20 0.51
SRC P12931 2/20 0.49
POLB P06746 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
ALDH1A1 P00352 3/20 0.47
CYP2A6 P11509 1/20 0.47
MEN1 O00255 3/20 0.46
RAB9A P51151 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 2/20 0.46
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 3/20 0.43
MAPK1 P28482 1/20 0.43
HCRTR1 O43613 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL4832600 0.87 PTGER4 (0.81) PTGER4KDM4ESRCPOLBALDH1A1
SCHEMBL29794143 0.87 PTGER4 (0.81) PTGER4KDM4ESRCPOLBALDH1A1
SCHEMBL21651446 0.86 PTGER4 (0.73) PTGER4KDM4EGRIK2GRIK1POLB
SCHEMBL29493320 0.86 PTGER4 (0.73) PTGER4KDM4EGRIK2GRIK1POLB
SCHEMBL28542163 0.86 PTGER4 (0.74) PTGER4KDM4EGRIK2GRIK1SRC
SCHEMBL15396904 0.84 PTGER4 (0.72) PTGER4KDM4EMAOAMAOBHSD17B10
SCHEMBL15217969 0.84 PTGER4 (0.72) PTGER4KDM4EMAOAMAOBHSD17B10
SCHEMBL19214418 0.83 PTGER4 (0.71) PTGER4KDM4ENPSR1ALDH1A1CYP2A6
SCHEMBL12239095 0.80 PTGER4 (0.67) PTGER4KDM4EALDH1A1CYP2A6MEN1
SCHEMBL15774538 0.80 PTGER4 (0.70) PTGER4KDM4ESRCPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708311-B2 Benzimidazole derivatives as EP4 antagonists BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-07-18 US disclosed
US-9708311-B2 Benzimidazole derivatives as EP4 antagonists BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-07-18 US disclosed
US-9708311-B2 Benzimidazole derivatives as EP4 antagonists BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-07-18 US disclosed
EP-2928884-B1 NOVEL BENZIMIDAZOLE DERIVATIVES AS EP4 ANTAGONISTS Bayer Pharma AG (DE) 2017-05-24 EP disclosed
US-20160214977-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS EP4 ANTAGONISTS BAYER ANIMAL HEALTH GMBH (DE) 2016-07-28 US disclosed
US-20160214977-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS EP4 ANTAGONISTS BAYER ANIMAL HEALTH GMBH (DE) 2016-07-28 US disclosed
US-20160214977-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS EP4 ANTAGONISTS BAYER ANIMAL HEALTH GMBH (DE) 2016-07-28 US disclosed
EP-2928884-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS EP4 ANTAGONISTS Bayer Pharma Aktiengesellschaft (DE) 2015-10-14 EP disclosed
WO-2014086739-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS EP4 ANTAGONISTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-06-12 WO disclosed
EP-1509518-B1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC (US) 2012-02-08 EP disclosed
US-7176322-B2 Calcium receptor modulating agents AMGEN INC. (US) 2007-02-13 US disclosed
EP-1509518-A1 CALCIUM RECEPTOR MODULATING AGENTS Amgen, Inc. (US) 2005-03-02 EP disclosed
US-20040077619-A1 Calcium receptor modulating agents AMGEN INC. 2004-04-22 US disclosed
WO-2003099814-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN, INC. (US) 2003-12-04 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-20040077619-A1 Calcium receptor modulating agents PTH1R, CASR, CALCR PTGER4 365/4885KDM4E 3394/4885GRIK2 1286/4885
US-20160214977-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS EP4 ANTAGONISTS PTGER4, PTGER1, PTGER2 PTGER4 1/4885KDM4E 1277/4885GRIK2 965/4885

“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.