SCHEMBL2292252

SCHEMBL2292252

O=C(O)c1cc(F)ccc1OCc1ccccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.62
HTT P42858 1/20 0.62
MCL1 Q07820 1/20 0.58
MRGPRX4 Q96LA9 5/20 0.56
ALDH1A1 P00352 1/20 0.55
FABP4 P15090 4/20 0.53
FABP5 Q01469 3/20 0.53
FOLH1 Q04609 1/20 0.52
NR4A2 P43354 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
FABP3 P05413 2/20 0.50
FFAR1 O14842 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
CLCN2 P51788 1/20 0.49
SGMS2 Q8NHU3 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
LRRK2 Q5S007 1/20 0.47

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
SCHEMBL3806442 0.86 MRGPRX4 (0.71) TP53HTTMCL1MRGPRX4ALDH1A1
SCHEMBL2289630 0.86 MRGPRX4 (0.54) TP53HTTMCL1MRGPRX4ALDH1A1
SCHEMBL1388155 0.86 HTT (0.77) TP53HTTMCL1MRGPRX4ALDH1A1
SCHEMBL1647440 0.85 LRRK2 (0.62) TP53HTTMCL1MRGPRX4ALDH1A1
SCHEMBL1646699 0.81 FOLH1 (0.67) MCL1MRGPRX4ALDH1A1FOLH1NPC1
SCHEMBL11771260 0.80 PTGDR2 (0.48) TP53HTTMRGPRX4ALDH1A1FABP4
SCHEMBL5839628 0.80 FABP4 (0.61) TP53HTTMCL1MRGPRX4FABP4
SCHEMBL5839388 0.80 TP53 (0.68) TP53HTTMCL1MRGPRX4ALDH1A1
SCHEMBL16498121 0.79 NR4A2 (0.49) TP53HTTMCL1MRGPRX4FABP4
SCHEMBL2292221 0.79 MAPT (0.50) TP53HTTMCL1ALDH1A1FABP4

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940811-B1 HETEROCYCLIC COMPOUNDS WITH CARBOXYL ISOSTERE GROUPS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER IP GMBH (DE) 2014-02-26 EP disclosed
EP-1940811-B1 HETEROCYCLIC COMPOUNDS WITH CARBOXYL ISOSTERE GROUPS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER IP GMBH (DE) 2014-02-26 EP disclosed
EP-1940808-B1 DIFLUOROPHENOL DERIVATIVES AND THEIR USE BAYER IP GMBH (DE) 2013-11-27 EP disclosed
US-8173704-B2 Difluorophenol derivatives and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-08 US disclosed
US-8173704-B2 Difluorophenol derivatives and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-08 US disclosed
US-8173704-B2 Difluorophenol derivatives and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-08 US disclosed
US-7998988-B2 Biphenyl compounds useful in the treatment or prevention of cardiovascular disorders BAYER SCHERING PHARMA AKTIENGELLSCHAFT (DE) 2011-08-16 US disclosed
US-7998988-B2 Biphenyl compounds useful in the treatment or prevention of cardiovascular disorders BAYER SCHERING PHARMA AKTIENGELLSCHAFT (DE) 2011-08-16 US disclosed
US-7998988-B2 Biphenyl compounds useful in the treatment or prevention of cardiovascular disorders BAYER SCHERING PHARMA AKTIENGELLSCHAFT (DE) 2011-08-16 US disclosed
US-20090291993-A1 Difluorophenol Derivatives and Their Use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2009-11-26 US disclosed
US-20090291993-A1 Difluorophenol Derivatives and Their Use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2009-11-26 US disclosed
US-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases BAYER HEALTHCARE AG (DE) 2009-09-10 US disclosed
US-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases BAYER HEALTHCARE AG (DE) 2009-09-10 US disclosed
US-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases BAYER HEALTHCARE AG (DE) 2009-09-10 US disclosed
EP-1940808-A1 DIFLUOROPHENOL DERIVATIVES AND THEIR USE Bayer HealthCare AG (DE) 2008-07-09 EP disclosed
EP-1940811-A1 HETEROCYCLIC COMPOUNDS WITH CARBOXYL ISOSTERE GROUPS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES Bayer HealthCare AG (DE) 2008-07-09 EP disclosed
WO-2007045369-A1 DIFLUOROPHENOL DERIVATIVES AND THEIR USE BAYER HEALTHCARE AG (DE) 2007-04-26 WO disclosed
WO-2007045369-A1 DIFLUOROPHENOL DERIVATIVES AND THEIR USE BAYER HEALTHCARE AG (DE) 2007-04-26 WO disclosed
WO-2007045366-A1 HETEROCYCLIC COMPOUNDS WITH CARBOXYL ISOSTERE GROUPS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-04-26 WO disclosed
WO-2007045366-A1 HETEROCYCLIC COMPOUNDS WITH CARBOXYL ISOSTERE GROUPS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-04-26 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-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases TNNI3, PC, TNNT2 TP53 3516/4885HTT 1492/4885MCL1 3416/4885
US-20090291993-A1 Difluorophenol Derivatives and Their Use TPMT, FABP3, DPP4 TP53 718/4885HTT 2573/4885MCL1 1257/4885

“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.