SCHEMBL22185405

SCHEMBL22185405

CC(C)c1ccc(F)c(Oc2cccc(-c3cccc(Oc4c(F)cccc4C(C)C)c3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLG P00747 2/20 0.41
PLAU P00749 2/20 0.41
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
PTGS2 P35354 1/20 0.34
AR P10275 2/20 0.31
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30
DUT P33316 1/20 0.30

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
SCHEMBL19317595 0.77 SLC6A4 (0.44) PLGPLAU
SCHEMBL22888655 0.75 DUT (0.43) PLGPLAUDUT
SCHEMBL24726470 0.73 PPARG (0.43) AKR1C3AKR1C2
SCHEMBL24726455 0.72 HDAC4 (0.41)
SCHEMBL13160048 0.67 AR (0.48) AR
SCHEMBL14471077 0.65 L3MBTL1 (0.46) AKR1C3AKR1C2PTGS2
SCHEMBL26378188 0.65 AKR1C3 (0.56) AKR1C3AKR1C2PTGS2
SCHEMBL26866955 0.65 PTGS1 (0.39) AR
SCHEMBL10549932 0.65 UGT2B7 (0.47) DUT
SCHEMBL10549937 0.65 UGT2B7 (0.47) DUT

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-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-02 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-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS IDH1, IDH2, IDH3A PLG 3933/4885PLAU 4288/4885AKR1C3 940/4885

“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.