SCHEMBL23670796

SCHEMBL23670796

COC(=O)C[C@H]1CC[C@@H]1C=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.36
BRD4 O60885 1/20 0.35
HSD17B10 Q99714 3/20 0.33
GAA P10253 2/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
EPHX2 P34913 2/20 0.33
EGFR P00533 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL28352209 1.00 TSHR (0.36) TSHRBRD4HSD17B10GAAMGAM
SCHEMBL10778868 0.74 ALDH1A1 (0.36) TSHRBRD4GAAEPHX2
SCHEMBL8444550 0.74 EPHX2 (0.44) TSHRBRD4HSD17B10GAAMGAM
SCHEMBL29213094 0.74 SLC6A12 (0.44) MAPT
SCHEMBL5638542 0.73 TSHR (0.46) TSHRBRD4HSD17B10GAAMGAM
SCHEMBL5638546 0.73 TSHR (0.46) TSHRBRD4HSD17B10GAAMGAM
SCHEMBL14499820 0.73 TSHR (0.46) TSHRBRD4HSD17B10GAAMGAM
Hydrochloric Acid SCHEMBL31106926 0.72 SLC6A12 (0.38) TSHRBRD4HSD17B10GAAMGAM
Hydrochloric Acid SCHEMBL28913390 0.72 SLC6A12 (0.38) TSHRBRD4HSD17B10GAAMGAM
SCHEMBL14232363 0.72 ALDH1A1 (0.34) HSD17B10GAASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230052348-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2023-02-16 US disclosed
US-20210230189-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2021-07-29 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-20210230189-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 TSHR 4714/4885BRD4 454/4885HSD17B10 3801/4885
US-20230052348-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 TSHR 4714/4885BRD4 454/4885HSD17B10 3801/4885

“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.