SCHEMBL22096232

SCHEMBL22096232

COC(=O)C1CCCCCC(NCCNC(=O)OC(C)(C)C)CC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.59
POLB P06746 1/20 0.42
BTK Q06187 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 2/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.38
CHRM1 P11229 1/20 0.37
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
EPHX2 P34913 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OGFRL1 Q5TC84 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
SCHEMBL18257482 0.96 EPHX1 (0.60) EPHX1POLBBTKSMN1; SMN2GAA
SCHEMBL18994820 0.96 EPHX1 (0.53) EPHX1POLBBTKSMN1; SMN2GAA
SCHEMBL22299790 0.95 EPHX1 (0.58) EPHX1POLBBTKSMN1; SMN2GAA
SCHEMBL2951839 0.94 EPHX1 (0.51) EPHX1BTKSMN1; SMN2GAAALDH1A1
SCHEMBL2951842 0.94 EPHX1 (0.51) EPHX1BTKSMN1; SMN2GAAALDH1A1
SCHEMBL5113769 0.88 EPHX1 (0.73) EPHX1BTKGAAALDH1A1MEN1
SCHEMBL5416045 0.87 EPHX1 (0.70) EPHX1BTKGAAALDH1A1MEN1
SCHEMBL19263939 0.84 EPHX1 (0.66) EPHX1BTKGAAALDH1A1MEN1
SCHEMBL5619433 0.84 EPHX1 (0.60) EPHX1BTKGAAALDH1A1MEN1
SCHEMBL24435431 0.80 EPHX1 (0.65) EPHX1GAAMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10683271-B2 Compositions and methods for modulating farnesoid X receptors NOVARTIS AG (CH) 2020-06-16 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-10683271-B2 Compositions and methods for modulating farnesoid X receptors NR1H4, GPBAR1, SLC10A1 EPHX1 810/4885POLB 4852/4885BTK 1555/4885

“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.