SCHEMBL2296728

SCHEMBL2296728

Cc1cc(C(F)(F)F)ccc1-c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.48
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CYP1A2 P05177 2/20 0.42
TACR1 P25103 2/20 0.42
TACR2 P21452 1/20 0.42
GCGR P47871 2/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
MIF P14174 1/20 0.40
APP P05067 1/20 0.40
RORC P51449 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
KCNH2 Q12809 1/20 0.39
PPARA Q07869 1/20 0.39
ANO1 Q5XXA6 1/20 0.39
CCR1 P32246 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL10078969 0.85 NPBWR1 (0.47) NPC1RAB9ACYP1A2SLC1A3SLC1A2
SCHEMBL14113002 0.83 PPARA (0.45) CYP1A2SLC1A3SLC1A2SLC1A1APP
SCHEMBL14666775 0.83 KIF11 (0.44) NPC1RAB9ACYP1A2SLC1A3SLC1A2
SCHEMBL19441007 0.82 AKR1C3 (0.48) CYP1A2GCGRSLC1A3SLC1A2SLC1A1
SCHEMBL21945443 0.81 PTGDR2 (0.51) PTGDR2NPC1RAB9ATACR1TACR2
SCHEMBL14054473 0.81 KIF11 (0.59) NPC1RAB9ACYP1A2SLC1A3SLC1A2
SCHEMBL16809158 0.81 ESR2 (0.55) PTGDR2TACR1SLC1A3SLC1A2SLC1A1
SCHEMBL6698623 0.80 AGPAT2 (0.52) PTGDR2TACR1TACR2APPMAPT
SCHEMBL30487478 0.80 NOTUM (0.47) CYP1A2SLC1A3SLC1A2SLC1A1CYP3A4
SCHEMBL680179 0.80 NOTUM (0.47) CYP1A2SLC1A3SLC1A2SLC1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases TNNI3, PC, TNNT2 PTGDR2 546/4885NPC1 553/4885RAB9A 2464/4885

“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.