SCHEMBL5217840

SCHEMBL5217840

Oc1ccc(-c2nn(-c3ncc(Cl)cc3C(F)(F)F)c(-c3ccc(O)cc3)c2-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.43
ESR2 Q92731 6/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
CNR1 P21554 1/20 0.35
NR2F2 P24468 1/20 0.35
CNR2 P34972 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
NTRK1 P04629 1/20 0.34
GSK3B P49841 1/20 0.33

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
SCHEMBL5218189 0.96 ESR1 (0.40) ESR1ESR2TDP1MEN1KMT2A
SCHEMBL5220819 0.83 GAA (0.44) ESR1ESR2TDP1MEN1KMT2A
SCHEMBL5221085 0.82 ESR1 (0.44) ESR1ESR2KMT2AMAPTMAPK1
SCHEMBL5217068 0.77 ESR1 (0.47) ESR1ESR2TDP1MEN1KMT2A
SCHEMBL5379523 0.76 ESR1 (0.45) ESR1ESR2TDP1MEN1KMT2A
SCHEMBL5215559 0.75 NPSR1 (0.53) ESR1ESR2TDP1MEN1KMT2A
SCHEMBL5219128 0.74 ESR1 (0.44) ESR1ESR2TDP1MEN1KMT2A
SCHEMBL5214755 0.74 ESR1 (0.45) ESR1ESR2TDP1MEN1KMT2A
SCHEMBL5214054 0.74 KMT2A (0.51) ESR1ESR2TDP1MEN1KMT2A
SCHEMBL5221501 0.73 KMT2A (0.49) ESR1ESR2MEN1KMT2AMAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39708-E1 Estrogen receptor modulators CHIRON CORPORATION (US) 2007-06-26 US disclosed
EP-1102753-B1 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS NOVARTIS VACCINES & DIAGNOSTIC (US) 2007-02-28 EP disclosed
US-6727273-B2 THERAPY FOR OSTEOPOROSIS, ANTICANCER AGENTS CHIRON CORPORATION 2004-04-27 US disclosed
US-20040077701-A1 Estrogen receptor modulators CHIRON CORPORATION (US) 2004-04-22 US disclosed
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION 2004-02-19 US disclosed
US-20020111374-A1 Estrogen receptor modulators CHIRON CORPORATION 2002-08-15 US disclosed
US-6291505-B1 PYRAZOLE ESTROGEN RECEPTOR AGONIST AND ANTAGONIST CHIRON CORPORATION 2001-09-18 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-20040077701-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 ESR1 1/4885ESR2 2/4885TDP1 3285/4885
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS ESR1, ESR2, GPER1 ESR1 1/4885ESR2 2/4885TDP1 3285/4885
US-20020111374-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 ESR1 1/4885ESR2 2/4885TDP1 3285/4885

“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.