SCHEMBL8513893

SCHEMBL8513893

COc1cc(OC)cc(-c2c(C(C)=O)nnc(C)c2-c2c(F)cc(F)cc2F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 2/20 0.35
TP53 P04637 1/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
PTGS2 P35354 1/20 0.33
WDR5 P61964 1/20 0.33
ADORA3 P0DMS8 2/20 0.33
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33
MDM2 Q00987 1/20 0.33
KMT2A Q03164 1/20 0.33
RXRA P19793 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
FFAR1 O14842 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GRK6 P43250 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32

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
SCHEMBL1162286 0.85 CYP1B1 (0.37) CTSATP53PDE2APDE10A
SCHEMBL1162305 0.80 CYP1A2 (0.34) CTSAMEN1KMT2AL3MBTL1PDE2A
SCHEMBL1162377 0.80 CYP1A2 (0.34) CTSATP53AKR1C3AKR1C2WDR5
SCHEMBL1162395 0.79 CYP1A2 (0.41) CTSAMEN1KMT2AFFAR1TDP1
SCHEMBL1593482 0.79 TP53 (0.44) CTSATP53AKR1C3AKR1C2PTGS2
SCHEMBL1162608 0.77 CYP1A1 (0.36) CTSATP53MEN1PKMKMT2A
SCHEMBL1162406 0.76 CYP1A2 (0.33) CTSAMEN1KMT2AL3MBTL1PDE2A
SCHEMBL1938749 0.75 ADORA2A (0.46) TP53MEN1KMT2AMAPTTHRB
SCHEMBL8510090 0.74 AKR1C3 (0.36) TP53AKR1C3AKR1C2PTGS2MEN1
SCHEMBL1937723 0.73 ABL1 (0.38) TP53MAPTPDE2APDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135995-A1 FUNGICIDAL DIPHENYL-SUBSTITUTED PYRIDAZINES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2012-05-31 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-20120135995-A1 FUNGICIDAL DIPHENYL-SUBSTITUTED PYRIDAZINES PNPO, CYP1B1, PRXL2A CTSA 1218/4885TP53 3523/4885AKR1C3 103/4885

“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.