SCHEMBL22650792

SCHEMBL22650792

CC1(C)COc2c(F)cc(B3OC(C)(C)C(C)(C)O3)cc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPL P06858 6/20 0.39
LIPG Q9Y5X9 6/20 0.39
ROCK1 Q13464 1/20 0.35
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
P2RX7 Q99572 1/20 0.30
FFAR1 O14842 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
SCHEMBL13468751 0.79 PTGS2 (0.49) PTGS1PTGS2
SCHEMBL19667742 0.76 LPL (0.40) LPLLIPGROCK1P2RX7
SCHEMBL15335297 0.75 LPL (0.39) LPLLIPGROCK1P2RX7
SCHEMBL31394217 0.74 LPL (0.38) LPLLIPGROCK1P2RX7
SCHEMBL6691092 0.74 LPL (0.50) LPLLIPGROCK1CA1CA2
SCHEMBL10158678 0.73 NOTUM (0.43) LPLLIPGCA1CA2CA9
SCHEMBL26153570 0.72 LPL (0.48) LPLLIPGROCK1CA1CA2
SCHEMBL30748977 0.72 LPL (0.36) LPLLIPGROCK1P2RX7
SCHEMBL15634931 0.72 LPL (0.36) LPLLIPGROCK1P2RX7
SCHEMBL18530194 0.72 LPL (0.36) LPLLIPGROCK1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220296595-A1 CDK INHIBITORS GENENTECH, INC. 2022-09-22 US disclosed
CN-114364675-A CDK inhibitors 上海齐鲁锐格医药研发有限公司 2022-04-15 CN disclosed
EP-3966213-A1 CDK INHIBITORS Qilu Regor Therapeutics Inc. (CN) 2022-03-16 EP disclosed
WO-2020224568-A1 CDK INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2020-11-12 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 (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-20220296595-A1 CDK INHIBITORS CDKL1, CDK9, CDK6 LPL 4724/4885LIPG 4506/4885ROCK1 689/4885

“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.