SCHEMBL4828372

SCHEMBL4828372

CC(C)=CCc1c(O)cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 1.00
PDE5A O76074 2/20 0.81
ESR1 P03372 1/20 0.81
PDE4D Q08499 1/20 0.81
ESR2 Q92731 1/20 0.81
SLC22A2 O15244 1/20 0.72
SLC22A1 O15245 1/20 0.72
DYRK1A Q13627 1/20 0.66
DYRK1B Q9Y463 1/20 0.66
PTPN1 P18031 2/20 0.59
BCL2 P10415 1/20 0.59
CYP19A1 P11511 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
SCHEMBL27013412 0.91 AKT1 (0.83) AKT1PDE5AESR1PDE4DESR2
SCHEMBL29808704 0.91 AKT1 (0.83) AKT1PDE5AESR1PDE4DESR2
SCHEMBL1231403 0.89 PDE4D (1.00) AKT1PDE5AESR1PDE4DESR2
SCHEMBL29808504 0.89 PDE4D (1.00) AKT1PDE5AESR1PDE4DESR2
SCHEMBL20045159 0.88 DYRK1A (0.84) AKT1PDE5AESR1PDE4DESR2
SCHEMBL3192507 0.87 PDE5A (0.83) AKT1PDE5AESR1PDE4DESR2
SCHEMBL20954090 0.87 PDE5A (0.83) AKT1PDE5AESR1PDE4DESR2
SCHEMBL4227433 0.85 PDE5A (0.80) AKT1PDE5AESR1PDE4DESR2
SCHEMBL27013490 0.85 AKT1 (0.73) AKT1PDE5AESR1PDE4DESR2
SCHEMBL30725644 0.85 AKT1 (0.73) AKT1PDE5AESR1PDE4DESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7326734-B2 Treatment of bladder and urinary tract cancers THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-02-05 US disclosed
US-20040259813-A1 Treatment of bladder and urinary tract cancers THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-12-23 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 (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-20040259813-A1 Treatment of bladder and urinary tract cancers KLK5, KLK4, KLK6 AKT1 2779/4885PDE5A 2937/4885ESR1 790/4885

“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.