SCHEMBL14924045

SCHEMBL14924045

COc1ccc(-n2ccc3cc(CO)cc(OC(=O)c4ccc(C(F)(F)F)cc4)c3c2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SUV39H1 O43463 1/20 0.41
EHMT2 Q96KQ7 1/20 0.41
PRMT1 Q99873 1/20 0.41
EGFR P00533 2/20 0.41
PTPN11 Q06124 1/20 0.39
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
THRB P10828 2/20 0.36
POLB P06746 1/20 0.36
HCRTR1 O43613 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
TP53 P04637 1/20 0.36
P2RX3 P56373 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
SCHEMBL2588516 0.90 EGFR (0.51) SUV39H1EHMT2PRMT1EGFRPTPN11
SCHEMBL15026345 0.87 PPARD (0.37) EGFRMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL18672295 0.85 CYP1A1 (0.41) SUV39H1EHMT2PRMT1EGFRPTPN11
SCHEMBL15026341 0.83 PTPN11 (0.41) SUV39H1EHMT2PRMT1PTPN11MAPT
SCHEMBL14924033 0.83 ALDH1A1 (0.47) SUV39H1EHMT2PRMT1PTPN11MAPT
SCHEMBL14924051 0.82 EGFR (0.54) EGFRMAPTSMN1; SMN2THRBPOLB
SCHEMBL3062221 0.82 EGFR (0.54) SUV39H1EHMT2PRMT1EGFRMAPT
SCHEMBL14924044 0.77 EGFR (0.43) EGFRMAPTTHRBPOLBTP53
SCHEMBL14924053 0.76 EGFR (0.51) EGFRMAPTTHRBPOLBKDM4E
SCHEMBL3063674 0.74 NPBWR1 (0.42) EGFRPTPN11MAPTSMN1; SMN2NPC1

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
US-9604931-B2 Nuclear receptor binding agents GTX, INC. (US) 2017-03-28 US disclosed
US-20170014401-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. 2017-01-19 US disclosed
US-20130150403-A1 NUCLEAR RECEPTOR BINDING AGENTS VA Long Beach Healthcare System (US) 2013-06-13 US disclosed
US-20130116277-A1 ALDO-KETO REDUCTASE SUBFAMILY 1C3 (AKR1C3) INHIBITORS DALTON JAMES T (US) 2013-05-09 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 (3 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-20170014401-A1 NUCLEAR RECEPTOR BINDING AGENTS ESRRB, ESRRG, ESRRA SUV39H1 2539/4885EHMT2 1768/4885PRMT1 1709/4885
US-20130150403-A1 NUCLEAR RECEPTOR BINDING AGENTS FABP3, NCOR1, NR3C2 SUV39H1 2815/4885EHMT2 1622/4885PRMT1 1515/4885
US-20130116277-A1 ALDO-KETO REDUCTASE SUBFAMILY 1C3 (AKR1C3) INHIBITORS AKR1C3, AKR1C1, AKR1C2 SUV39H1 2663/4885EHMT2 3057/4885PRMT1 3462/4885

“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.