SCHEMBL14924064

SCHEMBL14924064

COc1ccc(-n2cc(C#N)c3cc(CO)ccc3c2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
ESRRA P11474 2/20 0.51
ESR2 Q92731 1/20 0.51
TP53 P04637 5/20 0.50
LMNA P02545 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
THRB P10828 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 4/20 0.44

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
SCHEMBL2588204 0.87 ESRRA (0.61) KDM4EALDH1A1ESRRAESR2TP53
SCHEMBL15026337 0.83 ESRRA (0.54) KDM4EALDH1A1ESRRAESR2TP53
SCHEMBL13087004 0.82 KDM4E (0.54) KDM4EALDH1A1ESRRAESR2TP53
SCHEMBL14924117 0.81 ESRRA (0.71) KDM4EALDH1A1ESRRAESR2TP53
SCHEMBL14924107 0.80 ESRRA (0.65) KDM4EALDH1A1ESRRAESR2TP53
SCHEMBL14924043 0.78 ESR2 (0.77) KDM4EALDH1A1ESRRAESR2TP53
SCHEMBL14924075 0.78 ESR2 (0.58) KDM4EALDH1A1ESRRAESR2TP53
SCHEMBL14915834 0.77 ESRRA (0.71) KDM4EALDH1A1ESRRAESR2TP53
SCHEMBL14924129 0.76 ESRRA (0.63) ESRRAESR2TP53LMNATHRB
SCHEMBL14924108 0.76 ESRRA (0.63) KDM4EALDH1A1ESRRAESR2TP53

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-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 (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 KDM4E 1789/4885ALDH1A1 1489/4885ESRRA 3/4885
US-20130116277-A1 ALDO-KETO REDUCTASE SUBFAMILY 1C3 (AKR1C3) INHIBITORS AKR1C3, AKR1C1, AKR1C2 KDM4E 901/4885ALDH1A1 250/4885ESRRA 90/4885

“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.