SCHEMBL5730779

SCHEMBL5730779

CC(Oc1ccc(C(=NO)c2c(-c3ccc(O)cc3)noc2-c2ccc(O)cc2)cc1)C1CCCCN1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL5730764 1.00 ALDH1A1 (0.30) ALDH1A1HPGDCYP2D6MAPK1CYP2C19
SCHEMBL5729286 0.89 PTGS1 (0.34) ALDH1A1HPGDSLC6A2SLC6A4SLC6A3
SCHEMBL6307449 0.87 PTGS1 (0.35) ALDH1A1HPGDCYP2D6MAPK1CYP2C19
SCHEMBL5731066 0.86 PTGS1 (0.34) ALDH1A1
SCHEMBL5729633 0.85 SLC6A2 (0.37) ALDH1A1HPGDCYP2D6MAPK1CYP2C19
SCHEMBL5729513 0.85 SLC6A2 (0.37) ALDH1A1HPGDCYP2D6MAPK1CYP2C19
SCHEMBL5730042 0.84 SLC6A2 (0.34) ALDH1A1HPGDCYP2D6MAPK1CYP2C19
SCHEMBL5729707 0.84 SLC6A2 (0.34) ALDH1A1HPGDCYP2D6MAPK1CYP2C19
SCHEMBL6304492 0.82 MLLT1 (0.34) ALDH1A1HPGDCYP2D6MAPK1CYP2C19
SCHEMBL5729044 0.81 SLC6A2 (0.39) ALDH1A1HPGDCYP2D6MAPK1CYP2C19

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-6743815-B2 OSTEOPOROSIS; ENDOMETRIOSIS; ALZHEIMER'S DISEASE CHIRON CORPORATION 2004-06-01 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 (2 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 ALDH1A1 3101/4885HPGD 752/4885CYP2D6 3129/4885
US-20030065012-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 ALDH1A1 3101/4885HPGD 752/4885CYP2D6 3129/4885

“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.