SCHEMBL22299790

SCHEMBL22299790

COC(=O)C1CCCC[C@@H](NCCNC(=O)OC(C)(C)C)CCC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.58
BTK Q06187 1/20 0.47
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
CHRM1 P11229 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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 0.99 EPHX1 (0.60) EPHX1BTKALDH1A1MEN1KMT2A
SCHEMBL18994820 0.96 EPHX1 (0.53) EPHX1BTKALDH1A1MEN1KMT2A
SCHEMBL22096232 0.95 EPHX1 (0.59) EPHX1BTKALDH1A1MEN1KMT2A
SCHEMBL2951839 0.91 EPHX1 (0.51) EPHX1BTKALDH1A1MEN1KMT2A
SCHEMBL2951842 0.91 EPHX1 (0.51) EPHX1BTKALDH1A1MEN1KMT2A
SCHEMBL5416045 0.89 EPHX1 (0.70) EPHX1BTKALDH1A1MEN1KMT2A
SCHEMBL19263939 0.89 EPHX1 (0.66) EPHX1BTKALDH1A1MEN1KMT2A
SCHEMBL5113769 0.87 EPHX1 (0.73) EPHX1BTKALDH1A1MEN1KMT2A
SCHEMBL5619433 0.83 EPHX1 (0.60) EPHX1BTKALDH1A1MEN1KMT2A
SCHEMBL24435259 0.80 EPHX1 (0.58) EPHX1BTKALDH1A1MEN1KMT2A

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-11021446-B2 Compositions and methods for modulating farnesoid X receptors NOVARTIS AG (CH) 2021-06-01 US disclosed
US-20200247757-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC. 2020-08-06 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 (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-11021446-B2 Compositions and methods for modulating farnesoid X receptors NR1H4, GPBAR1, SLC10A1 EPHX1 810/4885BTK 1555/4885ALDH1A1 2796/4885
US-20200247757-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NR1H4, GPBAR1, SLC10A1 EPHX1 810/4885BTK 1555/4885ALDH1A1 2796/4885

“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.