SCHEMBL14901973

SCHEMBL14901973

COC(=O)CCc1ccc(C)c(I)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.43
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
ALOX5 P09917 1/20 0.41
OR51E2 Q9H255 1/20 0.41
FFAR1 O14842 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
APP P05067 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
IDO1 P14902 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
SCHEMBL8969138 0.85 NPC1 (0.49) PTPN1CYP4F2CYP4A11SIRT2ALOX5
SCHEMBL30716575 0.84 ALOX5 (0.51) PTPN1ALOX5OR51E2ALDH1A1APP
SCHEMBL1746504 0.84 ALOX5 (0.51) PTPN1ALOX5OR51E2ALDH1A1APP
SCHEMBL13014917 0.83 ALDH1A1 (0.53) CYP4F2CYP4A11ALDH1A1NPC1RAB9A
SCHEMBL2722156 0.83 L3MBTL1 (0.43) PTPN1SIRT2ALOX5OR51E2FFAR1
SCHEMBL1446362 0.83 ALOX5 (0.50) PTPN1ALOX5OR51E2FFAR1KMT2A
SCHEMBL2722450 0.83 CA12 (0.43) PTPN1SIRT2ALOX5OR51E2FFAR1
SCHEMBL27972225 0.82 APP (0.51) PTPN1CYP4F2CYP4A11SIRT2ALOX5
SCHEMBL18830588 0.81 FFAR1 (0.54) FFAR1
SCHEMBL19403512 0.81 NPC1 (0.49) FFAR1ALDH1A1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9717714-B2 Spirocyclic CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-01 US disclosed
US-9346825-B2 Fused bicyclic oxazolidinone CETP inhibitor MERCK SHARP & DOHME CORP. (US) 2016-05-24 US disclosed
US-20150342931-A1 SPIROCYCLIC CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-12-03 US disclosed
US-20140378493-A1 Fused Bicyclic Oxazolidinone CETP Inhibitor MERCK SHARP & DOHME LLC 2014-12-25 US disclosed
US-8871738-B2 Fused bicyclic oxazolidinone CETP inhibitor MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-20130109649-A1 FUSED BICYCLIC OXAZOLIDINONE CETP INHIBITOR MERCK SHARP & DOHME LLC 2013-05-02 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 (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-20140378493-A1 Fused Bicyclic Oxazolidinone CETP Inhibitor CETP, MTTP, APOB PTPN1 3153/4885CYP4F2 637/4885CYP4A11 431/4885
US-20150342931-A1 SPIROCYCLIC CETP INHIBITORS CETP, MTTP, LCAT PTPN1 3306/4885CYP4F2 1078/4885CYP4A11 516/4885
US-20130109649-A1 FUSED BICYCLIC OXAZOLIDINONE CETP INHIBITOR CETP, MTTP, APOB PTPN1 3153/4885CYP4F2 637/4885CYP4A11 431/4885

“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.