SCHEMBL5217985

SCHEMBL5217985

CCCC(=O)Oc1ccc(-c2nn(C)c(-c3ccc(OC(=O)CCC)cc3)c2CC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.44
CTNNB1 P35222 1/20 0.44
KMT2A Q03164 7/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
MAPK1 P28482 2/20 0.40
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HTT P42858 1/20 0.39
RXFP1 Q9HBX9 1/20 0.36
NFKB1 P19838 2/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
TP53 P04637 2/20 0.36

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
SCHEMBL5220395 0.85 HSD17B10 (0.42) KMT2ARAB9ASMN1; SMN2MAPK1MAPT
SCHEMBL5221335 0.78 TP53 (0.39) BCL9CTNNB1KMT2ARAB9AMAPK1
SCHEMBL6836918 0.75 BCL9 (0.64) BCL9CTNNB1KMT2ARAB9ASMN1; SMN2
SCHEMBL5735351 0.74 BCL9 (0.44) BCL9CTNNB1KMT2ARAB9ASMN1; SMN2
SCHEMBL11023644 0.73 BCL9 (0.70) BCL9CTNNB1KMT2ARAB9ASMN1; SMN2
SCHEMBL9581015 0.70 BCL9 (0.57) BCL9CTNNB1KMT2ARAB9ASMN1; SMN2
SCHEMBL31329312 0.70 BCL9 (0.57) BCL9CTNNB1KMT2ARAB9AMAPT
SCHEMBL27734175 0.69 BCL9 (0.60) BCL9CTNNB1KMT2ARAB9ASMN1; SMN2
SCHEMBL2292825 0.67 BCL9 (0.62) BCL9CTNNB1KMT2ARAB9ASMN1; SMN2
SCHEMBL8765721 0.67 BCL9 (0.62) BCL9CTNNB1KMT2ARAB9ASMN1; SMN2

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 BCL9 2645/4885CTNNB1 2180/4885KMT2A 2791/4885
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS ESR1, ESR2, GPER1 BCL9 2645/4885CTNNB1 2180/4885KMT2A 2791/4885
US-20020111374-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 BCL9 2645/4885CTNNB1 2180/4885KMT2A 2791/4885

“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.