SCHEMBL5729282

SCHEMBL5729282

O=C(c1ccc(OCCC2CCCCN2)cc1)c1c(-c2ccc(O)cc2)noc1-c1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.49
LTA4H P09960 1/20 0.41
CHEK1 O14757 1/20 0.40
SSTR2 P30874 2/20 0.39
ESR1 P03372 9/20 0.39
ESR2 Q92731 9/20 0.39
MAPT P10636 3/20 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
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

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
SCHEMBL5731064 0.97 CHEK2 (0.45) CHEK2LTA4HCHEK1ESR1ESR2
SCHEMBL5729507 0.96 CHEK2 (0.46) CHEK2LTA4HCHEK1SSTR2ESR1
SCHEMBL5729625 0.96 CHEK2 (0.46) CHEK2LTA4HCHEK1SSTR2ESR1
SCHEMBL6304487 0.93 CHEK2 (0.46) CHEK2LTA4HCHEK1SSTR2ESR1
SCHEMBL5729040 0.92 CHEK2 (0.48) CHEK2LTA4HCHEK1SSTR2ESR1
SCHEMBL5729303 0.90 CHEK2 (0.42) CHEK2CHEK1SSTR2ALDH1A1LMNA
SCHEMBL5729698 0.89 CHEK2 (0.45) CHEK2LTA4HCHEK1SSTR2ESR1
SCHEMBL5729344 0.89 CHEK2 (0.45) CHEK2LTA4HCHEK1SSTR2ESR1
SCHEMBL5730770 0.89 CHEK2 (0.45) CHEK2LTA4HCHEK1SSTR2ESR1
SCHEMBL5729577 0.87 CHEK1 (0.42) CHEK2CHEK1SSTR2ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102755-B1 SUBSTITUTED ISOXAZOLE DERIVATIVES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORP (US) 2006-01-04 EP claimed
US-6743815-B2 OSTEOPOROSIS; ENDOMETRIOSIS; ALZHEIMER'S DISEASE CHIRON CORPORATION 2004-06-01 US claimed
EP-1102755-B1 SUBSTITUTED ISOXAZOLE DERIVATIVES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORP (US) 2006-01-04 EP disclosed
US-6869969-B2 Estrogen receptor modulators CHIRON CORPORATION (US) 2005-03-22 US disclosed
US-6743815-B2 OSTEOPOROSIS; ENDOMETRIOSIS; ALZHEIMER'S DISEASE CHIRON CORPORATION 2004-06-01 US disclosed
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors CHIRON CORPORATION 2004-05-27 US disclosed
US-20030065012-A1 Estrogen receptor modulators CHIRON CORPORATION (US) 2003-04-03 US disclosed
US-6387920-B2 ISOXAZOLE COMPOUNDS; FOR TREATING ESTROGEN RECEPTOR-MEDIATED DISORDERS SUCH AS OSTEOPOROSIS, BREAST AND ENDOMETRIAL CANCERS, ATHEROSCLEROSIS, ALZHEIMER'S DISEASE CHIRON CORPORATION 2002-05-14 US disclosed
US-20010036956-A1 Estrogen receptor modulators HUEBNER VERENA D (US) 2001-11-01 US disclosed
US-6262098-B1 ISOXAZOLE ESTROGEN RECEPTOR AGONIST AND ANTAGONIST CHIRON CORPORATION 2001-07-17 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-20010036956-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 CHEK2 1773/4885LTA4H 886/4885CHEK1 2950/4885
US-20030065012-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 CHEK2 1773/4885LTA4H 886/4885CHEK1 2950/4885
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors ESR2, GPER1, ESR1 CHEK2 831/4885LTA4H 1094/4885CHEK1 1227/4885

“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.