SCHEMBL4058508

SCHEMBL4058508

CCCOc1ccc(OBOc2ccc(OCCC)cc2C(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
PDK2 Q15119 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
PTPN7 P35236 1/20 0.39
DUSP3 P51452 1/20 0.39
ACACB O00763 1/20 0.39
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 0.36
AR P10275 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36

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
SCHEMBL3563848 0.88 L3MBTL1 (0.44) PDE3BPDE3APDK2CYP1A1CYP1B1
SCHEMBL19649433 0.80 PDK2 (0.46) PDK2THRATHRBPTPN7DUSP3
SCHEMBL3131157 0.79 CA12 (0.44) THRBPTPN7DUSP3L3MBTL1AR
SCHEMBL3117040 0.78 RXRA (0.47) PDE3BPDE3AL3MBTL1ARCTSS
SCHEMBL12778374 0.78 PDK2 (0.43) PDK2THRATHRBPTPN7DUSP3
SCHEMBL1676910 0.76 KAT6A (0.39) PDK2PTPN7DUSP3L3MBTL1CA12
SCHEMBL10352007 0.76 MAPT (0.48) PDK2THRATHRBPTPN7DUSP3
SCHEMBL27336912 0.76 PPARG (0.54) PDK2THRATHRBPTPN7DUSP3
SCHEMBL3718454 0.76 PDK2 (0.43) PDK2THRATHRBPTPN7DUSP3
SCHEMBL3140756 0.75 RXRA (0.43) PDK2ARCTSSCTSKS1PR1

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
WO-2009111501-A1 DERIVATIVES OF IMIDAZO [4, 5-D] PYRIDAZINE AND THEIR USE AS ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-09-11 WO disclosed
US-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-09-10 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-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE MAVS, SARS1, HAVCR2 PDE3B 748/4885PDE3A 602/4885PDK2 2973/4885

“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.