SCHEMBL13552185

SCHEMBL13552185

CCCc1ccccc1CCCO

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.47
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX5 P09917 1/20 0.38
PTGS2 P35354 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36

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
SCHEMBL13552187 0.93 LIPG (0.50) LIPGCYP4F2CYP4A11CYP3A4CYP2D6
SCHEMBL12634509 0.91 LIPG (0.52) LIPGCYP4F2CYP4A11CYP3A4CYP2D6
SCHEMBL3271303 0.89 LIPG (0.60) LIPGCYP4F2CYP4A11CYP3A4ALOX5
SCHEMBL29681348 0.88 TDP1 (0.43) LIPGCYP4F2CYP4A11POLBKDM4E
SCHEMBL1607140 0.88 TDP1 (0.43) LIPGCYP4F2CYP4A11POLBKDM4E
SCHEMBL29681353 0.88 TDP1 (0.43) LIPGCYP4F2CYP4A11POLBKDM4E
SCHEMBL1150835 0.86 CYP4A11 (0.46) LIPGCYP4F2CYP4A11POLBKDM4E
SCHEMBL8969684 0.86 TDP1 (0.44) LIPGCYP4F2CYP4A11HTR1AADRA2A
SCHEMBL29538286 0.86 TDP1 (0.44) LIPGCYP4F2CYP4A11HTR1AADRA2A
SCHEMBL9276351 0.85 LIPG (0.54) LIPGCYP4F2CYP4A11CYP3A4CYP2D6

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 LIPG 161/4885CYP4F2 2300/4885CYP4A11 1917/4885
US-20120270807-A1 MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES PRSS1, SPINT2, SERPINB1 LIPG 158/4885CYP4F2 2736/4885CYP4A11 1857/4885

“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.