SCHEMBL22431062

SCHEMBL22431062

Cc1cc2c(cc1O)c(=O)oc1c(C)c(O)ccc12

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 17/20 0.76
ESR1 P03372 11/20 0.76
PKLR P30613 1/20 0.59
GALNT2 Q10471 1/20 0.59
GALNT1 Q10472 1/20 0.59
GALNT3 Q14435 1/20 0.59
GALNT10 Q86SR1 1/20 0.59
GALNT13 Q8IUC8 1/20 0.59
GALNT6 Q8NCL4 1/20 0.59
GALNT14 Q96FL9 1/20 0.59
MAOB P27338 1/20 0.58
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL26768213 0.88 PKLR (0.79) ESR2ESR1PKLRGALNT2GALNT1
SCHEMBL22413028 0.84 ESR2 (0.77) ESR2ESR1
SCHEMBL22413393 0.83 ESR2 (0.71) ESR2ESR1KDM4EALDH1A1GAA
SCHEMBL6828078 0.83 ESR2 (1.00) ESR2ESR1KDM4EALDH1A1GAA
SCHEMBL6825648 0.83 ESR2 (0.77) ESR2ESR1KDM4EALDH1A1GAA
SCHEMBL6830085 0.80 ESR2 (0.68) ESR2ESR1KDM4EALDH1A1GAA
SCHEMBL6828242 0.80 ESR2 (0.89) ESR2ESR1KDM4EALDH1A1GAA
SCHEMBL6825403 0.80 ESR2 (1.00) ESR2ESR1KDM4EALDH1A1GAA
SCHEMBL6828126 0.80 ESR2 (0.73) ESR2ESR1KDM4EALDH1A1GAA
SCHEMBL6825266 0.79 ESR2 (1.00) ESR2ESR1KDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220177457-A1 SMALL MOLECULES THAT BIND CYCLIN-DEPENDENT KINASE INHIBITOR 1B (P27KIP1) NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-06-09 US disclosed
US-20220177457-A1 SMALL MOLECULES THAT BIND CYCLIN-DEPENDENT KINASE INHIBITOR 1B (P27KIP1) NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-06-09 US disclosed
EP-3937926-A1 SMALL MOLECULES THAT BIND CYCLIN-DEPENDENT KINASE INHIBITOR 1B (P27KIP1) St. Jude Children's Research Hospital, Inc. (US) 2022-01-19 EP disclosed
CN-113825506-A Small molecules that bind cyclin-dependent kinase inhibitor 1B (P27KIP1) 圣祖德儿童研究医院 2021-12-21 CN disclosed
WO-2020186110-A1 SMALL MOLECULES THAT BIND CYCLIN-DEPENDENT KINASE INHIBITOR 1B (P27KIP1) ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) 2020-09-17 WO disclosed
WO-2020186110-A1 SMALL MOLECULES THAT BIND CYCLIN-DEPENDENT KINASE INHIBITOR 1B (P27KIP1) ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) 2020-09-17 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-20220177457-A1 SMALL MOLECULES THAT BIND CYCLIN-DEPENDENT KINASE INHIBITOR 1B (P27KIP1) CDK7, CDK2, CCNI ESR2 3596/4885ESR1 2562/4885PKLR 1443/4885

“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.