SCHEMBL3181663

SCHEMBL3181663

CC(C)=CCc1c(O)ccc2c(=O)cc(-c3ccc(F)cc3)oc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.59
ESR1 P03372 1/20 0.59
PDE4D Q08499 1/20 0.59
ESR2 Q92731 1/20 0.59
AKT1 P31749 2/20 0.58
PTPN1 P18031 3/20 0.54
PTGS1 P23219 2/20 0.53
PTGS2 P35354 1/20 0.53
CYP1A1 P04798 1/20 0.49
CYP1A2 P05177 1/20 0.49
XDH P47989 1/20 0.49
CYP1B1 Q16678 1/20 0.49
TERT O14746 3/20 0.49
SLC22A2 O15244 1/20 0.48
SLC22A1 O15245 1/20 0.48
MAOA P21397 2/20 0.48
ABCG2 Q9UNQ0 1/20 0.47
BRD4 O60885 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL4214011 0.91 PDE5A (0.71) PDE5AESR1PDE4DESR2AKT1
SCHEMBL3192637 0.90 PDE5A (0.60) PDE5AESR1PDE4DESR2AKT1
SCHEMBL27013490 0.88 AKT1 (0.73) PDE5AESR1PDE4DESR2AKT1
SCHEMBL30725644 0.88 AKT1 (0.73) PDE5AESR1PDE4DESR2AKT1
SCHEMBL3181023 0.88 PDE5A (0.56) PDE5AESR1PDE4DESR2AKT1
SCHEMBL3188097 0.86 PDE5A (0.56) PDE5AESR1PDE4DESR2AKT1
SCHEMBL7375563 0.82 TERT (0.52) CYP1A1CYP1A2XDHCYP1B1TERT
SCHEMBL3174917 0.81 KDM4E (0.54) PDE5AESR1PDE4DESR2AKT1
SCHEMBL15360840 0.80 PDE5A (0.62) PDE5AESR1PDE4DESR2AKT1
SCHEMBL13532130 0.79 KDM4E (0.56) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016352-A1 COMPOUNDS AND METHODS FOR TREATING ESTROGEN RECEPTOR-RELATED DISEASES SHENOGEN PHARMA GROUP LTD. (CN) 2010-01-21 US disclosed
US-20100016352-A1 COMPOUNDS AND METHODS FOR TREATING ESTROGEN RECEPTOR-RELATED DISEASES SHENOGEN PHARMA GROUP LTD. (CN) 2010-01-21 US disclosed
US-20100016352-A1 COMPOUNDS AND METHODS FOR TREATING ESTROGEN RECEPTOR-RELATED DISEASES SHENOGEN PHARMA GROUP LTD. (CN) 2010-01-21 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-20100016352-A1 COMPOUNDS AND METHODS FOR TREATING ESTROGEN RECEPTOR-RELATED DISEASES ESR2, ESR1, ESRRB PDE5A 4102/4885ESR1 2/4885PDE4D 4081/4885

“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.