SCHEMBL5221388

SCHEMBL5221388

CCc1c(-c2ccc(O)cc2)nn(Cc2cccc(Oc3ccccc3)c2)c1-c1ccc(O)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.45
FAAH O00519 1/20 0.44
BTK Q06187 4/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
CD74 P04233 1/20 0.41
MIF P14174 1/20 0.41
CCR8 P51685 3/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
TRPV6 Q9H1D0 1/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL5216958 0.86 ESR1 (0.54) ESR1KDM4EALDH1A1LMNANPSR1
SCHEMBL5216392 0.85 ESR1 (0.45) ESR1KDM4ECD74MIFLMNA
SCHEMBL5215468 0.83 ESR1 (0.44) ESR1KDM4EALDH1A1TDP1HPGD
SCHEMBL5214604 0.82 ESR1 (0.48) ESR1KDM4EALDH1A1HPGDHTT
SCHEMBL6834900 0.80 ESR1 (0.48) ESR1KDM4EALDH1A1HPGDLMNA
SCHEMBL5217890 0.80 ESR1 (0.48) ESR1KDM4ELMNANPSR1
SCHEMBL5220996 0.78 ESR1 (0.50) ESR1KDM4EALDH1A1LMNANPSR1
SCHEMBL8008424 0.77 L3MBTL1 (0.52) KDM4EALDH1A1TDP1HPGDHTT
SCHEMBL5214578 0.75 PTGDR2 (0.46) ESR1KDM4ELMNANPSR1
SCHEMBL5216918 0.73 ESR1 (0.51) ESR1KDM4ETDP1LMNANPSR1

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 9 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
EP-1102753-A2 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2001-05-30 EP disclosed
WO-2000007996-A2 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2000-02-17 WO 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 1/4885FAAH 1921/4885BTK 2109/4885
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS ESR1, ESR2, GPER1 ESR1 1/4885FAAH 1921/4885BTK 2109/4885
US-20020111374-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 ESR1 1/4885FAAH 1921/4885BTK 2109/4885

“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.