SCHEMBL22648458

SCHEMBL22648458

CCCCCCCC(CCCCCCC)NC1COC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.33
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
ADH7 P40394 1/20 0.32
EPHX1 P07099 1/20 0.32
DNM1 Q05193 1/20 0.32
SPHK2 Q9NRA0 1/20 0.32
SPHK1 Q9NYA1 1/20 0.32

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
SCHEMBL19710928 0.82 LMNA (0.37) LMNAADH1BADH1CADH1AADH4
SCHEMBL22490153 0.82 LMNA (0.37) LMNAADH1BADH1CADH1AADH4
SCHEMBL23583664 0.81 EPHX1 (0.36) EPHX1
SCHEMBL19966758 0.81 EPHX1 (0.36) EPHX1
SCHEMBL24044046 0.81 ADH1B (0.40) ALDH1A1ADH1BADH1CADH1AADH4
SCHEMBL24486079 0.79 EPHX1 (0.34) EPHX1
SCHEMBL20794160 0.78 EPHX1 (0.42) EPHX1
SCHEMBL20747001 0.78 SIGMAR1 (0.42) EPHX1
SCHEMBL22355901 0.78 SIGMAR1 (0.42) EPHX1
SCHEMBL22355889 0.78 EPHX1 (0.42) EPHX1

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-20220153734-A1 Pyrazolopyridine Compounds For IRE1 Inhibition Optikira, LLC 2022-05-19 US disclosed
US-20200354367-A1 COMPOUNDS AND COMPOSITIONS FOR IRE1 INHIBITION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-11-12 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-20200354367-A1 COMPOUNDS AND COMPOSITIONS FOR IRE1 INHIBITION XBP1, RNASE1, ERN1 ALDH1A1 2682/4885LMNA 522/4885ADH1B 3485/4885
US-20220153734-A1 Pyrazolopyridine Compounds For IRE1 Inhibition XBP1, ERN1, ERN2 ALDH1A1 2438/4885LMNA 1449/4885ADH1B 4009/4885

“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.