SCHEMBL2215598

SCHEMBL2215598

C=CCCCCCC(C)(C)C(=O)OCC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.65
CYP4A11 Q02928 2/20 0.65
ACLY P53396 1/20 0.43
HTT P42858 1/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
PKM P14618 2/20 0.40
THRB P10828 1/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.39
ABCC4 O15439 1/20 0.39
USP2 O75604 2/20 0.38
CYP3A4 P08684 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RECQL P46063 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL4646581 0.98 CYP4F2 (0.62) CYP4F2CYP4A11ACLYHTTALDH1A1
SCHEMBL2895961 0.95 CYP4F2 (0.61) CYP4F2CYP4A11ACLYHTTALDH1A1
SCHEMBL6067681 0.87 CYP4F2 (0.47) CYP4F2CYP4A11ACLYHTTALDH1A1
SCHEMBL20613555 0.86 CYP4F2 (0.69) CYP4F2CYP4A11ACLYHTTALDH1A1
SCHEMBL20713329 0.86 CYP4F2 (0.69) CYP4F2CYP4A11ACLYHTTALDH1A1
SCHEMBL31108848 0.86 CYP4F2 (0.69) CYP4F2CYP4A11ACLYHTTALDH1A1
SCHEMBL31108907 0.86 CYP4F2 (0.69) CYP4F2CYP4A11ACLYHTTALDH1A1
SCHEMBL20713255 0.86 CYP4F2 (0.69) CYP4F2CYP4A11ACLYHTTALDH1A1
SCHEMBL3251799 0.86 CYP4F2 (0.53) CYP4F2CYP4A11HTTALDH1A1LMNA
SCHEMBL6254544 0.86 CYP4F2 (0.85) CYP4F2CYP4A11ACLYHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022199378-A1 SYNTHETIC METHOD OF BEMPEDOIC ACID ACTIVE PHARMACEUTICAL INGREDIENT 上海鼎雅药物化学科技有限公司 2022-09-29 WO disclosed
CN-115108904-A Synthesis method of betimeric acid bulk drug 上海鼎雅药物化学科技有限公司 2022-09-27 CN disclosed
US-7989471-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2011-08-02 US disclosed
US-7989471-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2011-08-02 US disclosed
US-7989471-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2011-08-02 US disclosed
EP-1912995-B1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARM LTD (IE) 2011-07-27 EP disclosed
EP-1912995-B1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARM LTD (IE) 2011-07-27 EP disclosed
US-20100240698-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2010-09-23 US disclosed
US-20100240698-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2010-09-23 US disclosed
US-20100240698-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2010-09-23 US disclosed
EP-1912995-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS Tibotec Pharmaceuticals Ltd. (IE) 2008-04-23 EP disclosed
WO-2007014919-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
WO-2007014919-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 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 (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-20100240698-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS CYP2B6, SRD5A1, NR5A2 CYP4F2 102/4885CYP4A11 40/4885ACLY 1967/4885

“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.