SCHEMBL13552197

SCHEMBL13552197

CCCCc1cc(C#N)ccc1OCCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTT P42858 4/20 0.39
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
CYP19A1 P11511 2/20 0.38
APAF1 O14727 1/20 0.38
THRB P10828 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 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
SCHEMBL6874159 0.82 PPARD (0.38) PPARDPPARAPTGDR2CYP11B1CYP11B2
SCHEMBL73829 0.80 MAPT (0.51) ALDH1A1HPGDTSHRHTTKDM4E
SCHEMBL12634447 0.78 KCNH2 (0.44) PPARDPPARAHTTL3MBTL1MAPT
SCHEMBL29577607 0.77 PTGDR2 (0.48) PPARDPPARAALDH1A1PTGDR2KDM4E
SCHEMBL13127157 0.77 TRPV4 (0.51) ALDH1A1HPGDPTGDR2HSD17B10KDM4E
SCHEMBL23287027 0.76 TYR (0.46) TSHRHSD17B10HTTMAPTMEN1
SCHEMBL13552207 0.75 CHEK1 (0.41) PPARDPPARAHPGDPTGDR2KDM4E
SCHEMBL15174546 0.75 TSHR (0.49) PPARATSHRHSD17B10
SCHEMBL4019008 0.75 HTT (0.62) ALDH1A1HTTKDM4EL3MBTL1MAPT
SCHEMBL74408 0.75 LTB4R (0.43) HTTL3MBTL1MAPTMAPK1APAF1

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-20120270769-A1 METHODS OF USING MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES TRANZYME PHARMA INC. (CA) 2012-10-25 US disclosed
US-20120270807-A1 MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES TRANZYME PHARMA INC. (CA) 2012-10-25 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 (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-20120270769-A1 METHODS OF USING MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES PRSS1, SPINT2, TMPRSS15 PPARD 4278/4885PPARA 4577/4885ALDH1A1 2685/4885
US-20120270807-A1 MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES PRSS1, SPINT2, SERPINB1 PPARD 4063/4885PPARA 4539/4885ALDH1A1 2977/4885

“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.