SCHEMBL5216967

SCHEMBL5216967

O=C(c1ccc(OCCC2CCCCN2)cc1)c1c(-c2ccc(O)cc2)nn(C2CCC2)c1-c1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.46
CMKLR1 Q99788 2/20 0.40
LTA4H P09960 1/20 0.39
ESR1 P03372 11/20 0.38
ESR2 Q92731 11/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 2/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 2/20 0.38
ALOX15 P16050 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
HRH2 P25021 2/20 0.38
PLD2 O14939 1/20 0.38
KDM1A O60341 1/20 0.38
NR1I2 O75469 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL5219067 0.92 CHEK2 (0.46) CHEK2CMKLR1LTA4HESR1ESR2
SCHEMBL5216955 0.82 ESR1 (0.54) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL5217319 0.81 CHEK2 (0.41) CHEK2LTA4HESR1ESR2MEN1
SCHEMBL5222741 0.80 ESR1 (0.45) CMKLR1ESR1ESR2MEN1LMNA
SCHEMBL5216974 0.80 CMKLR1 (0.38) CMKLR1ESR1
SCHEMBL5729282 0.79 CHEK2 (0.49) CHEK2LTA4HESR1ESR2MEN1
SCHEMBL5731064 0.76 CHEK2 (0.45) CHEK2LTA4HESR1ESR2MEN1
SCHEMBL6748504 0.76 CHEK2 (0.40) CHEK2CMKLR1SSTR2CHEK1
SCHEMBL5729507 0.76 CHEK2 (0.46) CHEK2LTA4HESR1ESR2MAPT
SCHEMBL5729625 0.76 CHEK2 (0.46) CHEK2LTA4HESR1ESR2MAPT

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 CHEK2 1088/4885CMKLR1 1096/4885LTA4H 1438/4885
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS ESR1, ESR2, GPER1 CHEK2 1088/4885CMKLR1 1096/4885LTA4H 1438/4885
US-20020111374-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 CHEK2 1088/4885CMKLR1 1096/4885LTA4H 1438/4885

“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.