SCHEMBL22650791

SCHEMBL22650791

CC1(C)COc2c(F)cccc21

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.36
PTGS2 P35354 6/20 0.36
ALOX5 P09917 4/20 0.36
CYP19A1 P11511 1/20 0.34
JAK2 O60674 2/20 0.33
HCAR2 Q8TDS4 1/20 0.33
HTR1A P08908 1/20 0.33
PGR P06401 1/20 0.33
ACHE P22303 1/20 0.32

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
SCHEMBL12465678 0.81 SSTR5 (0.33) PGR
SCHEMBL29065303 0.79 PGR (0.30) PGR
SCHEMBL8121999 0.74 PTGS1 (0.36) PTGS1PTGS2ALOX5HTR1A
SCHEMBL15339580 0.74 HTR1A (0.41) PTGS1PTGS2ALOX5HTR1A
SCHEMBL2692662 0.74 PTGS2 (0.54) PTGS1PTGS2ALOX5
SCHEMBL12678908 0.74 PTGS1 (0.38) PTGS1PTGS2ALOX5HTR1A
SCHEMBL3307612 0.74 PTGS1 (0.38) PTGS1PTGS2ALOX5HTR1A
SCHEMBL15328235 0.74 TAAR1 (0.38) PTGS1PTGS2ALOX5HTR1A
SCHEMBL10440200 0.72 NR3C1 (0.35) PTGS1PTGS2ALOX5PGR
SCHEMBL10440177 0.72 PTGS2 (0.37) PTGS1PTGS2ALOX5

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
CN-120040446-A CDK inhibitors 基因泰克公司 2025-05-27 CN disclosed
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 PTGS1 1996/4885PTGS2 2925/4885ALOX5 4122/4885

“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.