SCHEMBL20869412

SCHEMBL20869412

COc1cc[nH]c(=O)c1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.44
PDE3A Q14432 2/20 0.44
KDM4E B2RXH2 3/20 0.37
HDAC4 P56524 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
CCNE1 P24864 2/20 0.35
CDK2 P24941 2/20 0.35
EGFR P00533 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
ACHE P22303 1/20 0.34
MAPT P10636 4/20 0.33
ALDH1A1 P00352 3/20 0.33

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
SCHEMBL18257252 0.74 PDE3B (0.40) PDE3BPDE3AKDM4EGRIN2DGRIN3B
SCHEMBL22803201 0.74 PARP1 (0.33) KDM4EMAPTALDH1A1HPGDTDP1
SCHEMBL8165980 0.74 MAPT (0.46) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29848882 0.74 PARP1 (0.33) PDE3BPDE3AKDM4EMAPTALDH1A1
SCHEMBL22963000 0.72 AURKA (0.43) PDE3BPDE3AEGFRMAPTTDP1
SCHEMBL19573809 0.72 CCNE1 (0.40) PDE3BPDE3AKDM4EGRIN2DGRIN3B
SCHEMBL27401155 0.72 SIRT2 (0.38) MAPTKMT2APOLB
SCHEMBL1123742 0.71 GRIN2D (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18482209 0.69 GRIN2D (0.35) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1106163 0.69 JAK2 (0.32) MAPT

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-11020395-B2 Cycloalkyl substituted triazole compounds as agonists of the APJ receptor AMGEN INC. (US) 2021-06-01 US disclosed
US-20190290648-A1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-26 US disclosed
US-20190100510-A1 BROMOTRIAZOLE INTERMEDIATES AMGEN INC. (US) 2019-04-04 US 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 (3 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-20190100510-A1 BROMOTRIAZOLE INTERMEDIATES APH1A, BRDT, APH1B PDE3B 4592/4885PDE3A 4414/4885KDM4E 4471/4885
US-11020395-B2 Cycloalkyl substituted triazole compounds as agonists of the APJ receptor AGTR1, AGTR2, TBXA2R PDE3B 557/4885PDE3A 651/4885KDM4E 4750/4885
US-20190290648-A1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AGTR1, AGTR2, TBXA2R PDE3B 557/4885PDE3A 651/4885KDM4E 4750/4885

“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.