SCHEMBL4931111

SCHEMBL4931111

Oc1ccc(-c2noc3ccccc23)c(O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 15/20 1.00
ESR2 Q92731 15/20 1.00
HSP90AA1 P07900 4/20 0.77
HSP90AB1 P08238 1/20 0.55
ALOX5 P09917 1/20 0.51
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL3932748 0.87 ESR1 (1.00) ESR1ESR2HSP90AA1
SCHEMBL14261867 0.83 ESR1 (0.72) ESR1ESR2HSP90AA1MEN1CYP2C9
SCHEMBL3922605 0.83 ESR1 (1.00) ESR1ESR2HSP90AA1
SCHEMBL4933777 0.82 ESR1 (0.69) ESR1ESR2HSP90AA1KDM4EMEN1
SCHEMBL21889293 0.80 ESR1 (0.69) ESR1ESR2HSP90AA1
SCHEMBL7548059 0.79 ESR1 (0.66) ESR1ESR2HSP90AA1
SCHEMBL3929820 0.77 ESR1 (1.00) ESR1ESR2HSP90AA1
SCHEMBL4933522 0.76 ESR1 (0.72) ESR1ESR2HSP90AA1
SCHEMBL3927438 0.75 ESR1 (0.77) ESR1ESR2HSP90AA1
SCHEMBL5992116 0.75 ESR1 (0.59) ESR1ESR2HSP90AA1MEN1HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070960-A1 Novel 3-Aryl-1,2-Benzisoxazole Derivatives and Use Thereof as Medicinal Products Against Cancer AVENTIS PHARMA S.A. (FR) 2008-03-20 US claimed
US-20080070960-A1 Novel 3-Aryl-1,2-Benzisoxazole Derivatives and Use Thereof as Medicinal Products Against Cancer AVENTIS PHARMA S.A. (FR) 2008-03-20 US disclosed
US-20080070960-A1 Novel 3-Aryl-1,2-Benzisoxazole Derivatives and Use Thereof as Medicinal Products Against Cancer AVENTIS PHARMA S.A. (FR) 2008-03-20 US disclosed
US-20080070960-A1 Novel 3-Aryl-1,2-Benzisoxazole Derivatives and Use Thereof as Medicinal Products Against Cancer AVENTIS PHARMA S.A. (FR) 2008-03-20 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 (1 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-20080070960-A1 Novel 3-Aryl-1,2-Benzisoxazole Derivatives and Use Thereof as Medicinal Products Against Cancer UGT2B7, UGT2B17, CYP4X1 ESR1 2306/4885ESR2 987/4885HSP90AA1 1416/4885

“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.