SCHEMBL5729276

SCHEMBL5729276

O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)noc1-c1ccc(O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 1/20 0.59
PSMB5 P28074 1/20 0.59
PSMB2 P49721 1/20 0.59
ESR1 P03372 18/20 0.58
ESR2 Q92731 17/20 0.58
MEN1 O00255 2/20 0.58
ALDH1A1 P00352 2/20 0.58
LMNA P02545 2/20 0.58
TP53 P04637 2/20 0.58
CYP3A4 P08684 2/20 0.58
MAPT P10636 2/20 0.58
ALOX15 P16050 2/20 0.58
KMT2A Q03164 2/20 0.58
HSD17B10 Q99714 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
PLD2 O14939 1/20 0.58
KDM1A O60341 1/20 0.58
NR1I2 O75469 1/20 0.58
USP2 O75604 1/20 0.58
C5 P01031 1/20 0.58

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
SCHEMBL5731061 0.99 ESR1 (0.57) PSMB1PSMB5PSMB2ESR1ESR2
SCHEMBL5729501 0.95 ESR1 (0.59) PSMB1PSMB5PSMB2ESR1ESR2
SCHEMBL5729621 0.95 ESR1 (0.59) PSMB1PSMB5PSMB2ESR1ESR2
SCHEMBL6304485 0.92 ESR1 (0.61) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL5729039 0.91 ESR1 (0.58) PSMB1PSMB5PSMB2ESR1ESR2
SCHEMBL5729290 0.91 GAA (0.52) PSMB1PSMB5PSMB2ESR1ESR2
SCHEMBL5729299 0.89 ESR1 (0.53) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL5729695 0.88 ESR1 (0.61) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL5729341 0.88 ESR1 (0.55) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL5730777 0.87 ESR1 (0.52) PSMB1PSMB5PSMB2ESR1ESR2

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 PSMB1 1576/4885PSMB5 666/4885PSMB2 1286/4885
US-20030065012-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 PSMB1 1576/4885PSMB5 666/4885PSMB2 1286/4885
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors ESR2, GPER1, ESR1 PSMB1 2746/4885PSMB5 1450/4885PSMB2 1906/4885

“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.