SCHEMBL21227367

SCHEMBL21227367

CC[C@@H]1CCCC[C@@H]1OC

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
ALDH1A1 P00352 3/20 0.32
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL27117987 1.00 KDM4E (0.45) KDM4ECA1CA2CA4ALDH1A1
SCHEMBL16229734 1.00 KDM4E (0.45) KDM4ECA1CA2CA4ALDH1A1
SCHEMBL1437814 1.00 KDM4E (0.45) KDM4ECA1CA2CA4ALDH1A1
SCHEMBL25741004 1.00 KDM4E (0.45) KDM4ECA1CA2CA4ALDH1A1
SCHEMBL24930063 0.95
SCHEMBL10327054 0.95
SCHEMBL21227402 0.95
SCHEMBL21628350 0.82 CA1 (0.34) KDM4ECA1CA2CA4
SCHEMBL13745541 0.81 CA1 (0.50) KDM4ECA1CA2CA4ALDH1A1
SCHEMBL19055336 0.78 ALDH1A1 (0.38) KDM4ECA1CA2CA4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024141535-A1 NLRP3 INFLAMMASOME INHIBITORS ASTRAZENECA AB (SE) 2024-07-04 WO disclosed
WO-2024044486-A1 JAK2 INHIBITOR COMPOUNDS AJAX THERAPEUTICS, INC. (US) 2024-02-29 WO disclosed
WO-2023122581-A2 IKAROS ZINC FINGER FAMILY DEGRADERS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2023-06-29 WO disclosed
US-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-02-23 US disclosed
US-20190241575-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 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-20190241575-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 KDM4E 391/4885CA1 4879/4885CA2 4600/4885
US-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 KDM4E 391/4885CA1 4879/4885CA2 4600/4885

“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.