SCHEMBL26097271

SCHEMBL26097271

O=C(NC12CCCC1C2)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.47
CTSL P07711 4/20 0.47
CTSB P07858 3/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 2/20 0.45
EPHX1 P07099 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CTSK P43235 4/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RORC P51449 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL13141751 0.86 CTSS (0.39) CTSSCTSLCTSBALDH1A1GAA
SCHEMBL26700837 0.78 ALDH1A1 (0.46) ALDH1A1GAATSHREPHX1MEN1
SCHEMBL9951748 0.77 FKBP1A (0.47) CTSSCTSLCTSBALDH1A1GAA
SCHEMBL18069841 0.76 CTSB (0.47) CTSSCTSLCTSBALDH1A1GAA
SCHEMBL19040173 0.76 CTSB (0.47) CTSSCTSLCTSBALDH1A1GAA
SCHEMBL24571689 0.76 ALDH1A1 (0.44) CTSSCTSLCTSBALDH1A1GAA
SCHEMBL13733943 0.76 EPHX2 (0.50) CTSSCTSLCTSBALDH1A1GAA
SCHEMBL28141039 0.76 ALDH1A1 (0.49) CTSSCTSLCTSBALDH1A1GAA
SCHEMBL7440304 0.75 CTSB (0.49) CTSSCTSLCTSBALDH1A1GAA
SCHEMBL7440294 0.75 CTSB (0.49) CTSSCTSLCTSBALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230135215-A1 COMPOUNDS AS CDK2/4/6 INHIBITORS FOCHON BIOSCIENCES, LTD. (CN) 2023-05-04 US disclosed
EP-4110782-A1 COMPOUNDS AS CDK2/4/6 INHIBITORS Fochon Biosciences, Ltd. (CN) 2023-01-04 EP disclosed
CN-115551856-A Compounds as CDK2/4/6 inhibitors 重庆复尚源创医药技术有限公司 2022-12-30 CN 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-20230135215-A1 COMPOUNDS AS CDK2/4/6 INHIBITORS CDK2, CDK6, CDK20 CTSS 3211/4885CTSL 1629/4885CTSB 2780/4885

“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.