SCHEMBL4990847

SCHEMBL4990847

BrC/C=C/c1cccc(Oc2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPOR P19235 4/20 0.62
ALOX5 P09917 3/20 0.56
PTGS1 P23219 2/20 0.56
PTGS2 P35354 2/20 0.56
ALOX5AP P20292 1/20 0.56
TLR4 O00206 1/20 0.54
TLR2 O60603 1/20 0.54
PPARG P37231 1/20 0.49
KDM5A P29375 1/20 0.44
BACE1 P56817 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
LCK P06239 1/20 0.43
MAOB P27338 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
LTA4H P09960 1/20 0.41

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
SCHEMBL4990855 1.00 EPOR (0.62) EPORALOX5PTGS1PTGS2ALOX5AP
SCHEMBL9492638 0.83 EPOR (0.58) EPORALOX5PTGS1PTGS2ALOX5AP
SCHEMBL9359231 0.83 EPOR (0.62) EPORALOX5PTGS1PTGS2ALOX5AP
SCHEMBL30721682 0.83 EPOR (0.62) EPORALOX5PTGS1PTGS2ALOX5AP
SCHEMBL9130834 0.83 ALOX5 (0.59) EPORALOX5PTGS1PTGS2ALOX5AP
SCHEMBL11157827 0.83 EPOR (0.62) EPORALOX5PTGS1PTGS2ALOX5AP
SCHEMBL9492646 0.83 EPOR (0.58) EPORALOX5PTGS1PTGS2ALOX5AP
SCHEMBL9130816 0.83 ALOX5 (0.59) EPORALOX5PTGS1PTGS2ALOX5AP
SCHEMBL27900292 0.81 TLR4 (0.64) EPORALOX5PTGS1PTGS2ALOX5AP
SCHEMBL9487834 0.81 RELA (0.61)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0279531-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF INSECTICIDALLY ACTIVE COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-10 EP claimed
EP-0279531-A2 Process and intermediates for the preparation of insecticidally active compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-08-24 EP claimed
US-7384979-B2 Substituted amino acids as erythropoietin mimetics ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2008-06-10 US disclosed
EP-1073623-B1 SUBSTITUTED AMINO ACIDS AS ERYTHROPOIETIN MIMETICS ORTHO MCNEIL PHARM INC (US) 2007-04-11 EP disclosed
US-7153869-B2 Substituted amino acids as erythropoietin mimetics CONNOLLY PETER J 2006-12-26 US disclosed
US-20060247274-A1 Substituted amino acids as erythropoietin mimetics CONNOLLY PETER J 2006-11-02 US disclosed
US-20040248815-A1 Substituted amino acids as erythropoietin mimetics ORTHO MCNEIL PHARMACEUTICAL, INC. 2004-12-09 US disclosed
EP-1073623-A4 SUBSTITUTED AMINO ACIDS AS ERYTHROPOIETIN MIMETICS ORTHO MCNEIL PHARM INC (US) 2004-08-18 EP disclosed
US-6750369-B2 USEFUL IN TREATMENT OF DISEASES OR CONDITIONS ASSOCIATED WITH ERYTHROPOIETIN RECEPTOR ORTHO MCNEIL PHARMACEUTICAL, INC. 2004-06-15 US disclosed
US-20020016350-A1 Substituted amino acids as erythropoietin mimetics CONNOLLY PETER J (US) 2002-02-07 US disclosed
US-6310078-B1 MODULATING ERYTHROPOIETIN RECEPTOR, TREATING DISEASE OR CONDITION MEDIATED BY SAID RECEPTOR ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-10-30 US disclosed
EP-1073623-A1 SUBSTITUTED AMINO ACIDS AS ERYTHROPOIETIN MIMETICS Ortho-Mcneil Pharmaceutical, Inc. (US) 2001-02-07 EP disclosed
WO-1999054279-A1 SUBSTITUTED AMINO ACIDS AS ERYTHROPOIETIN MIMETICS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 1999-10-28 WO disclosed
EP-0279531-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF INSECTICIDALLY ACTIVE COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-10 EP disclosed
US-5081273-A PROCESS FOR THE PREPARATION OF INSECTICIDALLY ACTIVE DIPHENYL ETHER COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-14 US disclosed
US-4942264-A WITTIG REACTION FOLLOWED BY REDUCTION IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-07-17 US disclosed
EP-0279531-A2 Process and intermediates for the preparation of insecticidally active compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-08-24 EP 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-20060247274-A1 Substituted amino acids as erythropoietin mimetics EPOR, EDNRA, EDNRB EPOR 1/4885ALOX5 3531/4885PTGS1 1241/4885
US-20020016350-A1 Substituted amino acids as erythropoietin mimetics EPOR, EDNRA, FLT1 EPOR 1/4885ALOX5 3840/4885PTGS1 976/4885
US-20040248815-A1 Substituted amino acids as erythropoietin mimetics EPOR, EDNRA, FLT1 EPOR 1/4885ALOX5 3840/4885PTGS1 976/4885

“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.