SCHEMBL4425758

SCHEMBL4425758

O=C(O)C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(O)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.85
PDE4D Q08499 2/20 0.85
NR1I2 O75469 1/20 0.85
HMGCR P04035 4/20 0.72
RXRA P19793 3/20 0.72
CYP2C9 P11712 3/20 0.44
SIRT6 Q8N6T7 2/20 0.44
TBXA2R P21731 2/20 0.44
ADRA1A P35348 2/20 0.44
ABCC3 O15438 1/20 0.44
ABCB11 O95342 1/20 0.44
PGR P06401 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CCKAR P32238 1/20 0.44
PTGS2 P35354 1/20 0.44
SLC10A1 Q14973 1/20 0.44
ESR1 P03372 1/20 0.43
CHRM1 P11229 1/20 0.43
PDE4A P27815 1/20 0.43
PRKAA2 P54646 1/20 0.41

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
SCHEMBL4425767 1.00 NR4A2 (0.85) NR4A2PDE4DNR1I2HMGCRRXRA
SCHEMBL4422430 0.94 NR4A2 (0.88) NR4A2PDE4DNR1I2HMGCRRXRA
SCHEMBL8319507 0.94 NR4A2 (0.88) NR4A2PDE4DNR1I2HMGCRRXRA
SCHEMBL4422434 0.94 NR4A2 (0.88) NR4A2PDE4DNR1I2HMGCRRXRA
Pitavastatin SCHEMBL2878610 0.92 PDE4D (1.00) NR4A2PDE4DNR1I2HMGCRRXRA
Pitavastatin SCHEMBL1582328 0.92 PDE4D (1.00) NR4A2PDE4DNR1I2HMGCRRXRA
Pitavastatin SCHEMBL1582325 0.92 PDE4D (1.00) NR4A2PDE4DNR1I2HMGCRRXRA
Pitavastatin SCHEMBL13278902 0.92 PDE4D (1.00) NR4A2PDE4DNR1I2HMGCRRXRA
Pitavastatin SCHEMBL13278896 0.92 PDE4D (1.00) NR4A2PDE4DNR1I2HMGCRRXRA
Pitavastatin SCHEMBL2878734 0.92 PDE4D (1.00) NR4A2PDE4DNR1I2HMGCRRXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005023305-A2 MODULATING CELL ACTIVITY BY USING AN AGENT THAT REDUCES THE LEVEL OF CHOLESTEROL WITHIN A CELL INPHARMATICA LIMITED (GB) 2005-03-17 WO claimed
US-20090186834-A1 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS MICROBIA, INC. (US) 2009-07-23 US disclosed
US-20090005321-A1 Phenylazetidinone Derivatives MICROBIA, INC. (US) 2009-01-01 US disclosed
WO-2005023305-A2 MODULATING CELL ACTIVITY BY USING AN AGENT THAT REDUCES THE LEVEL OF CHOLESTEROL WITHIN A CELL INPHARMATICA LIMITED (GB) 2005-03-17 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 (2 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-20090186834-A1 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS NPC1L1, CYP46A1, NPC1 NR4A2 1217/4885PDE4D 453/4885NR1I2 114/4885
US-20090005321-A1 Phenylazetidinone Derivatives TYR, AAAS, FANCD2 NR4A2 2746/4885PDE4D 655/4885NR1I2 1769/4885

“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.