SCHEMBL23646196

SCHEMBL23646196

O=C(O)CCCCCCCCOCCNC(=O)Nc1ccc(C(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.49
RAB9A P51151 1/20 0.47
SLC6A3 Q01959 5/20 0.45
CASR P41180 1/20 0.44
EPHX2 P34913 3/20 0.43
GSK3B P49841 1/20 0.42
PPARA Q07869 1/20 0.42
KDR P35968 1/20 0.40
S1PR1 P21453 3/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL31372261 1.00 EPHX1 (0.49) EPHX1RAB9ASLC6A3CASREPHX2
SCHEMBL31372379 0.99 EPHX1 (0.48) EPHX1RAB9ASLC6A3CASREPHX2
SCHEMBL31372144 0.99 EPHX1 (0.48) EPHX1RAB9ASLC6A3CASREPHX2
SCHEMBL23646222 0.99 EPHX1 (0.48) EPHX1RAB9ASLC6A3CASREPHX2
SCHEMBL23646185 0.99 EPHX1 (0.48) EPHX1RAB9ASLC6A3CASREPHX2
SCHEMBL23646217 0.96 EPHX1 (0.55) EPHX1RAB9ASLC6A3CASREPHX2
SCHEMBL23646220 0.96 EPHX1 (0.52) EPHX1RAB9ASLC6A3CASREPHX2
SCHEMBL23646260 0.96 EPHX1 (0.55) EPHX1RAB9ASLC6A3CASREPHX2
SCHEMBL23646254 0.96 EPHX1 (0.52) EPHX1RAB9ASLC6A3CASREPHX2
SCHEMBL31372135 0.96 EPHX1 (0.55) EPHX1RAB9ASLC6A3CASREPHX2

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-20210221781-A1 FATTY ACID ANALOGUES AND METHODS OF USE LIN BIOSCIENCE INC. (TW) 2021-07-22 US disclosed
US-20210221781-A1 FATTY ACID ANALOGUES AND METHODS OF USE LIN BIOSCIENCE INC. (TW) 2021-07-22 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 (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-20210221781-A1 FATTY ACID ANALOGUES AND METHODS OF USE ELOVL1, FADS1, ALOX5 EPHX1 1873/4885RAB9A 1045/4885SLC6A3 3024/4885

“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.