SCHEMBL5214604

SCHEMBL5214604

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.48
MAPT P10636 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
TP53 P04637 3/20 0.44
POLB P06746 1/20 0.44
USP7 Q93009 1/20 0.42
KMT2A Q03164 4/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
SLC16A3 O15427 1/20 0.41
MCTS1 Q9ULC4 1/20 0.41
HPGD P15428 1/20 0.40
KDM4E B2RXH2 2/20 0.40
GMNN O75496 1/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL5216392 0.89 ESR1 (0.45) ESR1MAPTTP53USP7KMT2A
SCHEMBL5216958 0.88 ESR1 (0.54) ESR1MAPTSMN1; SMN2TP53KMT2A
SCHEMBL5215468 0.87 ESR1 (0.44) ESR1MAPTSMN1; SMN2TP53KMT2A
SCHEMBL5217890 0.86 ESR1 (0.48) ESR1MAPTSMN1; SMN2TP53USP7
SCHEMBL5221388 0.82 ESR1 (0.45) ESR1LMNANPSR1ALDH1A1HTT
SCHEMBL6834900 0.81 ESR1 (0.48) ESR1MAPTSMN1; SMN2TP53KMT2A
SCHEMBL5214578 0.81 PTGDR2 (0.46) ESR1MAPTTP53USP7KMT2A
SCHEMBL5216996 0.79 HSP90AA1 (0.48) ESR1MAPTTP53KMT2ALMNA
SCHEMBL5215832 0.79 ESR1 (0.56) ESR1MAPTTP53USP7KMT2A
SCHEMBL11247773 0.77 PTGDR2 (0.63) MAPTSMN1; SMN2TP53KMT2ALMNA

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 1/4885MAPT 1269/4885SMN1; SMN2 4806/4885
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS ESR1, ESR2, GPER1 ESR1 1/4885MAPT 1269/4885SMN1; SMN2 4806/4885
US-20020111374-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 ESR1 1/4885MAPT 1269/4885SMN1; SMN2 4806/4885

“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.