SCHEMBL5729762

SCHEMBL5729762

NC(=O)CCc1c(-c2ccc(O)cc2)noc1-c1ccc(O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.45
FFAR4 Q5NUL3 4/20 0.40
ESR1 P03372 4/20 0.39
ESR2 Q92731 4/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
KLF5 Q13887 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DUSP3 P51452 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
GFER P55789 1/20 0.35
KMT2A Q03164 1/20 0.35
CA2 P00918 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
PTGS1 P23219 1/20 0.35
S1PR1 P21453 2/20 0.34
MLYCD O95822 1/20 0.34

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
SCHEMBL5729783 0.80 ESR1 (0.48) FFAR4ESR1ESR2TP53ALDH1A1
SCHEMBL5728829 0.78 ESR1 (0.45) FFAR4ESR1ESR2DUSP3ALDH1A1
SCHEMBL5729781 0.76 ESR1 (0.44) FFAR4ESR1ESR2TP53RAB9A
SCHEMBL5729197 0.76 ESR1 (0.44) FFAR4ESR1ESR2TP53ALDH1A1
SCHEMBL5774112 0.76 RXRA (0.56) NR4A2FFAR4KDM4ELMNAPTGS1
SCHEMBL5729096 0.73 ESR1 (0.41) FFAR4ESR1ESR2SMN1; SMN2DUSP3
SCHEMBL5729395 0.73 NR1H4 (0.43) FFAR4ESR1ESR2ALDH1A1MEN1
SCHEMBL5729834 0.72 ESR1 (0.43) FFAR4ESR1ESR2DUSP3MEN1
SCHEMBL22769587 0.71 PTGS1 (0.48) NR4A2FFAR4ALDH1A1KDM4ELMNA
SCHEMBL5729890 0.71 CLK1 (0.43) ESR1ESR2TP53ALDH1A1MAPT

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 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
EP-1102755-A1 SUBSTITUTED ISOXAZOLE DERIVATIVES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2001-05-30 EP disclosed
WO-2000008001-A1 SUBSTITUTED ISOXAZOLE 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-20010036956-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 NR4A2 44/4885FFAR4 146/4885ESR1 1/4885
US-20030065012-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 NR4A2 44/4885FFAR4 146/4885ESR1 1/4885
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors ESR2, GPER1, ESR1 NR4A2 105/4885FFAR4 322/4885ESR1 3/4885

“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.