SCHEMBL4227433

SCHEMBL4227433

COc1ccc(-c2cc(=O)c3c(O)cc(O)c(CC=C(C)C)c3o2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 5/20 0.80
ESR1 P03372 1/20 0.80
PDE4D Q08499 1/20 0.80
ESR2 Q92731 1/20 0.80
AKT1 P31749 1/20 0.74
KDM1A O60341 2/20 0.69
PKMYT1 Q99640 1/20 0.69
DYRK1A Q13627 1/20 0.66
DYRK1B Q9Y463 1/20 0.66
SLC22A2 O15244 1/20 0.66
SLC22A1 O15245 1/20 0.66
PARP1 P09874 3/20 0.60
PARP2 Q9UGN5 3/20 0.60
APP P05067 1/20 0.57
MAOB P27338 2/20 0.56
CYP19A1 P11511 1/20 0.56
USP2 O75604 2/20 0.55
CYP3A4 P08684 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.54

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
SCHEMBL29808504 0.89 PDE4D (1.00) PDE5AESR1PDE4DESR2AKT1
SCHEMBL1231403 0.89 PDE4D (1.00) PDE5AESR1PDE4DESR2AKT1
SCHEMBL19354056 0.88 PDE5A (0.61) PDE5AESR1PDE4DESR2AKT1
SCHEMBL20045159 0.87 DYRK1A (0.84) PDE5AESR1PDE4DESR2AKT1
SCHEMBL3192507 0.87 PDE5A (0.83) PDE5AESR1PDE4DESR2AKT1
SCHEMBL20954090 0.86 PDE5A (0.83) PDE5AESR1PDE4DESR2AKT1
SCHEMBL4828372 0.85 AKT1 (1.00) PDE5AESR1PDE4DESR2AKT1
SCHEMBL19353997 0.85 PARP1 (0.65) PDE5AESR1PDE4DESR2KDM1A
SCHEMBL28950297 0.85 SLC22A2 (0.72) PDE5AESR1PDE4DESR2AKT1
SCHEMBL20045166 0.85 DYRK1A (0.71) PDE5AESR1PDE4DESR2AKT1

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
WO-2017156520-A1 ICARIIN AND ICARITIN DERIVATIVES H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-09-14 WO disclosed
US-8252835-B2 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-4H-chromen-4-one; for modulating functions of estrogen receptor alpha 36, preventing or treating diseases related to estrogen receptor alpha 36, such as asthma, for inducing cell death or inhibiting cell proliferation SHENOGEN PHARMA GROUP LTD. (CN) 2012-08-28 US disclosed
EP-2096916-A2 COMPOUNDS AND METHODS FOR TREATING ESTROGEN RECEPTOR-RELATED DISEASES Shenogen Pharma Group Ltd. (CN) 2009-09-09 EP disclosed
US-20080146658-A1 COMPOUNDS AND METHODS FOR TREATING ESTROGEN RECEPTOR-RELATED DISEASES SHENOGEN PHARMA GROUP LTD. (CN) 2008-06-19 US disclosed
WO-2008052005-A2 COMPOUNDS AND METHODS FOR TREATING ESTROGEN RECEPTOR-RELATED DISEASES SHENOGEN PHARMA GROUP LTD. (CN) 2008-05-02 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-20080146658-A1 COMPOUNDS AND METHODS FOR TREATING ESTROGEN RECEPTOR-RELATED DISEASES GPER1, ESR1, ESR2 PDE5A 3581/4885ESR1 2/4885PDE4D 4010/4885

“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.