SCHEMBL21658740

SCHEMBL21658740

C=CCC1(C)OCCNC1=O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 1/20 0.31

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
SCHEMBL14378017 1.00 MMP9 (0.31) MMP9
SCHEMBL28562380 0.77 MMP9 (0.33) MMP9
SCHEMBL21659003 0.77 MMP9 (0.33) MMP9
SCHEMBL14378068 0.69 TSHR (0.34) MMP9
Hydrochloric Acid SCHEMBL28905053 0.69 CYP19A1 (0.44) MMP9
SCHEMBL16361929 0.69 — —
SCHEMBL14554812 0.68 MMP9 (0.33) MMP9
SCHEMBL22450108 0.68 KDM4E (0.32) —
SCHEMBL14378053 0.67 TSHR (0.31) —
SCHEMBL14378098 0.67 GRIN1 (0.34) MMP9

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
US-12486280-B2 CDK inhibitors and uses thereof CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2025-12-02 — — US disclosed
EP-3830082-B1 CDK INHIBITORS AND USES THEREOF CALIFORNIA INST OF TECHN (US) 2025-02-26 — — EP disclosed
US-20220106325-A1 CDK INHIBITORS AND USES THEREOF 1200 PHARMA LLC 2022-04-07 — — US disclosed
CN-112703186-A CDK inhibitors and uses thereof 加利福尼亚技术学院 2021-04-23 — — CN disclosed
WO-2020023917-A1 CDK INHIBITORS AND USES THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2020-01-30 — — WO 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-20220106325-A1 CDK INHIBITORS AND USES THEREOF CDK6, CDK4, CDK3 MMP9 1707/4885
US-12486280-B2 CDK inhibitors and uses thereof CDK6, CDK4, CDK3 MMP9 1707/4885

“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.

Send feedback