SCHEMBL23137682

SCHEMBL23137682

CCCCCCC(CCCCC)C(=O)NC1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 11/20 0.54
EPHX2 P34913 2/20 0.54
SIGMAR1 Q99720 2/20 0.51
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL23137986 0.98 SIGMAR1 (0.53) EPHX1EPHX2SIGMAR1HDAC4HDAC1
SCHEMBL24021264 0.97 EPHX1 (0.55) EPHX1EPHX2SIGMAR1HDAC4HDAC1
SCHEMBL19019059 0.95 EPHX1 (0.54) EPHX1EPHX2SIGMAR1HDAC4HDAC1
SCHEMBL24021247 0.95 EPHX1 (0.54) EPHX1EPHX2SIGMAR1HDAC4HDAC1
SCHEMBL23137868 0.94 SMN1; SMN2 (0.55) EPHX1EPHX2SIGMAR1SMN1; SMN2
SCHEMBL19776084 0.93 EPHX1 (0.46) EPHX1EPHX2SIGMAR1
SCHEMBL19750307 0.93 EPHX1 (0.46) EPHX1EPHX2SIGMAR1
SCHEMBL18896225 0.92 CA2 (0.49) EPHX1EPHX2SIGMAR1
SCHEMBL13870548 0.87 ALDH1A1 (0.46) EPHX1EPHX2
SCHEMBL18896234 0.87 SIGMAR1 (0.51) EPHX1EPHX2SIGMAR1SMN1; SMN2

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-20210087167-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF Seal Rock Therapeutics, Inc. 2021-03-25 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-20210087167-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF ATF1, MAP3K1, ROCK1 EPHX1 921/4885EPHX2 1997/4885SIGMAR1 2101/4885

“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.