SCHEMBL2173758

SCHEMBL2173758

COC(=O)c1ccc(CCCCBr)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 3/20 0.75
CYP4F2 P78329 2/20 0.75
LOXL2 Q9Y4K0 1/20 0.58
CCR6 P51684 1/20 0.52
HKDC1 Q2TB90 1/20 0.52
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
ALOX12 P18054 1/20 0.51
CYP2C19 P33261 1/20 0.51
CKS1B P61024 1/20 0.51
SKP2 Q13309 1/20 0.51
HIF1A Q16665 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL2162519 0.96 CYP4A11 (0.72) CYP4A11CYP4F2LOXL2CCR6HKDC1
SCHEMBL317577 0.89 CYP4A11 (0.66) CYP4A11CYP4F2LOXL2CCR6HKDC1
SCHEMBL9763407 0.88 CYP4A11 (0.60) CYP4A11CYP4F2LOXL2CCR6HKDC1
SCHEMBL10610477 0.86 CYP4A11 (0.75) CYP4A11CYP4F2LOXL2CCR6HKDC1
SCHEMBL1628660 0.86 CYP4A11 (1.00) CYP4A11CYP4F2LOXL2CCR6HKDC1
SCHEMBL10641751 0.86 CYP4A11 (0.75) CYP4A11CYP4F2LOXL2ALDH1A1TP53
SCHEMBL8044139 0.86 CYP4A11 (0.75) CYP4A11CYP4F2LOXL2THRATHRB
SCHEMBL18158247 0.85 CYP4A11 (0.65) CYP4A11CYP4F2LOXL2CCR6HKDC1
SCHEMBL19889904 0.85 CYP4A11 (0.69) CYP4A11CYP4F2LOXL2ALDH1A1TP53
SCHEMBL70185 0.85 CYP4A11 (0.75) CYP4A11CYP4F2LOXL2CCR6HKDC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3397614-B1 IONIZABLE CATIONIC LIPID ARCTURUS THERAPEUTICS INC (US) 2022-05-18 EP disclosed
WO-2017117530-A9 IONIZABLE CATIONIC LIPID ARCTURUS THERAPEUTICS, INC. (US) 2021-03-11 WO disclosed
US-20180050987-A1 AROMATIC IONIZABLE CATIONIC LIPID ARCTURUS THERAPEUTICS, INC. 2018-02-22 US disclosed
US-9834510-B2 Aromatic ionizable cationic lipid ARCTURUS THERAPEUTICS, INC. (US) 2017-12-05 US disclosed
US-9834510-B2 Aromatic ionizable cationic lipid ARCTURUS THERAPEUTICS, INC. (US) 2017-12-05 US disclosed
WO-2017117530-A1 IONIZABLE CATIONIC LIPID ARCTURUS THERAPEUTICS, INC. (US) 2017-07-06 WO disclosed
US-20170190661-A1 Aromatic Ionizable Cationic Lipid ARCTURUS THERAPEUTICS, INC. 2017-07-06 US disclosed
US-20170190661-A1 Aromatic Ionizable Cationic Lipid ARCTURUS THERAPEUTICS, INC. 2017-07-06 US disclosed
EP-2346830-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck Sharp & Dohme Corp. (US) 2011-07-27 EP disclosed
WO-2010098994-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2010-09-02 WO disclosed
WO-2010093535-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2010-08-19 WO disclosed
WO-2010030722-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2010-03-18 WO disclosed
EP-0664281-B1 ISOCARBACYCLIN WITH MODIFIED alpha(a)-CHAIN AND PROCESS FOR PRODUCING THE SAME TEIJIN LTD (JP) 1997-05-28 EP disclosed
EP-0664281-A1 ISOCARBACYCLIN WITH MODIFIED $g(a)-CHAIN AND PROCESS FOR PRODUCING THE SAME TEIJIN LIMITED (JP) 1995-07-26 EP 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-20180050987-A1 AROMATIC IONIZABLE CATIONIC LIPID SGMS1, SLCO4C1, SLCO2B1 CYP4A11 433/4885CYP4F2 643/4885LOXL2 427/4885
US-20170190661-A1 Aromatic Ionizable Cationic Lipid SGMS1, SLC7A1, SLCO2B1 CYP4A11 476/4885CYP4F2 494/4885LOXL2 546/4885

“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.