SCHEMBL5729201

SCHEMBL5729201

Cc1c(-c2ccc(O)cc2)noc1-c1ccc(O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.51
ESR2 Q92731 10/20 0.51
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
GFER P55789 1/20 0.42
SENP1 Q9P0U3 1/20 0.41
HSD17B10 Q99714 2/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTGS1 P23219 1/20 0.38
S1PR1 P21453 1/20 0.37
DUSP3 P51452 1/20 0.37
MLYCD O95822 1/20 0.37

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
SCHEMBL15270257 0.93 ESR1 (0.50) ESR1ESR2MAPTMEN1ALDH1A1
SCHEMBL5730514 0.85 HSD17B1 (0.50) ESR1ESR2DUSP3CYP3A4CYP2D6
SCHEMBL5729935 0.82 ESR2 (0.54) ESR1ESR2MAPTMEN1ALDH1A1
SCHEMBL5729951 0.82 ESR2 (0.50) ESR1ESR2MAPTMEN1ALDH1A1
SCHEMBL21105084 0.80 PTGS1 (0.55) MAPTMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5729553 0.78 ESR1 (0.53) ESR1ESR2MAPTMEN1ALDH1A1
SCHEMBL5729316 0.78 PTGS2 (0.60) MAPTMEN1ALDH1A1KMT2ANPC1
SCHEMBL15560887 0.77 DUSP3 (0.43) ESR1ESR2MEN1ALDH1A1KMT2A
SCHEMBL5729701 0.77 MEN1 (0.50) ESR1ESR2MAPTMEN1ALDH1A1
SCHEMBL5729676 0.77 MEN1 (0.55) ESR1ESR2MAPTMEN1ALDH1A1

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 ESR1 1/4885ESR2 2/4885MAPT 1579/4885
US-20030065012-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 ESR1 1/4885ESR2 2/4885MAPT 1579/4885
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors ESR2, GPER1, ESR1 ESR1 3/4885ESR2 1/4885MAPT 2526/4885

“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.