SCHEMBL5729301

SCHEMBL5729301

COc1ccc(-c2noc(-c3ccc(OC)cc3)c2-c2ccc(OCCN3CCCCC3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.54
ESR1 P03372 10/20 0.53
ESR2 Q92731 6/20 0.53
HRH3 Q9Y5N1 3/20 0.51
MCHR1 Q99705 1/20 0.51
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL6394087 1.00 LTA4H (0.54) LTA4HESR1ESR2HRH3MCHR1
SCHEMBL5729713 0.89 ESR1 (0.65) ESR1ESR2HRH3MAPT
SCHEMBL5730049 0.89 ESR1 (0.65) ESR1ESR2HRH3MAPT
SCHEMBL5729039 0.83 ESR1 (0.58) LTA4HESR1ESR2POLBMAPT
SCHEMBL5729621 0.80 ESR1 (0.59) ESR1ESR2MAPT
SCHEMBL5729501 0.80 ESR1 (0.59) ESR1ESR2MAPT
SCHEMBL21121259 0.80 LTA4H (0.54) LTA4HESR1ESR2HRH3MCHR1
SCHEMBL7443460 0.79 LTA4H (0.77) LTA4HESR1HRH3MCHR1POLB
SCHEMBL14970684 0.79 LTA4H (0.82) LTA4HHRH3POLBMAPT
SCHEMBL15257179 0.79 LTA4H (0.82) LTA4HHRH3POLBMAPT

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 8 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

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 LTA4H 886/4885ESR1 1/4885ESR2 2/4885
US-20030065012-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 LTA4H 886/4885ESR1 1/4885ESR2 2/4885
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors ESR2, GPER1, ESR1 LTA4H 1094/4885ESR1 3/4885ESR2 1/4885

“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.