SCHEMBL15026341

SCHEMBL15026341

COc1ccc(-n2cc(Cl)c3cc(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
PTPN11 Q06124 2/20 0.41
NPBWR1 P48145 2/20 0.40
THRB P10828 2/20 0.40
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SUV39H1 O43463 1/20 0.38
EHMT2 Q96KQ7 1/20 0.38
PRMT1 Q99873 1/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL3063674 0.90 NPBWR1 (0.42) PTPN11NPBWR1THRBALDH1A1KDM4E
SCHEMBL14924033 0.90 ALDH1A1 (0.47) PTPN11THRBALDH1A1KDM4ESUV39H1
SCHEMBL14924045 0.83 SUV39H1 (0.41) PTPN11NPBWR1THRBALDH1A1KDM4E
SCHEMBL3068462 0.79 ESR2 (0.53) PTPN11ALDH1A1KDM4EMAPTLMNA
SCHEMBL14924074 0.78 ESR2 (0.41) THRBALDH1A1KDM4EMAPTLMNA
SCHEMBL15305094 0.78 KDM4E (0.49) PTPN11THRBALDH1A1KDM4ELMNA
SCHEMBL15026343 0.78 ESRRA (0.41) THRBALDH1A1KDM4ETP53KMT2A
SCHEMBL2588516 0.74 EGFR (0.51) PTPN11ALDH1A1KDM4ESUV39H1EHMT2
SCHEMBL14924075 0.74 ESR2 (0.58) THRBALDH1A1KDM4EMAPTLMNA
SCHEMBL13087108 0.74 THRB (0.46) THRBALDH1A1KDM4EMAPTLMNA

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 PTPN11 3455/4885NPBWR1 236/4885THRB 102/4885
US-20130150403-A1 NUCLEAR RECEPTOR BINDING AGENTS FABP3, NCOR1, NR3C2 PTPN11 3134/4885NPBWR1 401/4885THRB 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.