SCHEMBL15026344

SCHEMBL15026344

COc1ccc(-n2ccc3cc(CO)cc(OC)c3c2=O)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.56
GRM1 Q13255 5/20 0.45
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38
TUBB2B Q9BVA1 1/20 0.38
TUBB1 Q9H4B7 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL14924051 0.85 EGFR (0.54) EGFRGRM1MAPTTHRB
SCHEMBL2594106 0.83 EGFR (0.78) EGFRGRM1MAPTTP53TUBB4A
SCHEMBL15026345 0.77 PPARD (0.37) EGFRMAPTMETAXL
SCHEMBL15026342 0.76 ESR1 (0.47) EGFRMAPTTP53
SCHEMBL2588545 0.76 EGFR (0.73) EGFRGRM1TUBB4ATUBBTUBA3C
SCHEMBL14924044 0.75 EGFR (0.43) EGFRGRM1MAPTTP53THRB
SCHEMBL14924053 0.73 EGFR (0.51) EGFRGRM1MAPTGAATHRB
SCHEMBL14924045 0.71 SUV39H1 (0.41) EGFRMAPTTP53THRB
SCHEMBL14924080 0.70 ESRRA (0.50) EGFRMAPTTP53
SCHEMBL14924122 0.69 ALDH1A1 (0.43) EGFRGRM1MAPTTP53TUBB4A

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 3 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

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-20170014401-A1 NUCLEAR RECEPTOR BINDING AGENTS ESRRB, ESRRG, ESRRA EGFR 2299/4885GRM1 924/4885MAPT 4533/4885
US-20130150403-A1 NUCLEAR RECEPTOR BINDING AGENTS FABP3, NCOR1, NR3C2 EGFR 2915/4885GRM1 399/4885MAPT 4539/4885

“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.