SCHEMBL6380372

SCHEMBL6380372

COc1ccc(C=O)c(-c2cc(OC)cc(Br)c2O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRIM24 O15164 1/20 0.57
▸ TYR P14679 1/20 0.57
▸ TRIM33 Q9UPN9 1/20 0.57
▸ ERN1 O75460 8/20 0.53
▸ LCK P06239 2/20 0.52
▸ PRKACA P17612 1/20 0.52
▸ PRKACG P22612 1/20 0.52
▸ PRKACB P22694 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.50
▸ LRRK2 Q5S007 1/20 0.45
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP1A1 P04798 1/20 0.41
▸ CYP1B1 Q16678 1/20 0.41
▸ CYP2C19 P33261 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PRKDC P78527 1/20 0.40

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
SCHEMBL8990149 0.80 GABRA1 (0.52) LCKPRKACAPRKACGPRKACBALDH1A1
SCHEMBL8193524 0.79 ERN1 (0.76) TRIM24TYRTRIM33ERN1LCK
SCHEMBL931983 0.79 ERN1 (0.60) TRIM24TYRTRIM33ERN1ALDH1A1
SCHEMBL437463 0.78 ALDH1A1 (0.66) TRIM24TYRTRIM33ERN1ALDH1A1
Ethane SCHEMBL28205235 0.77 ALDH1A1 (0.63) TRIM24TYRTRIM33ERN1ALDH1A1
SCHEMBL28282933 0.77 ERN1 (0.56) TRIM24TYRTRIM33ERN1ALDH1A1
SCHEMBL4598834 0.74 ALDH1A1 (0.47) TRIM24TYRTRIM33ERN1ALDH1A1
SCHEMBL584683 0.73 ERN1 (0.61) TRIM24TYRTRIM33ERN1ALDH1A1
SCHEMBL133876 0.73 TYR (1.00) TRIM24TYRTRIM33ERN1ALDH1A1
SCHEMBL8060798 0.73 TYR (0.66) TRIM24TYRTRIM33ERN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050159465-A1 3-(4-Hydroxy-2-methylphenyl)-1,2-benzisoxazol-6-ol; estrogen receptor modulators; ability to compete with 17 beta -estradiol for both Estrogen Receptor alpha and Estrogen Receptor beta; Estrogen Receptor Selective Agonist Antagonist activity; anticancer, antiinflammatory, anticholesterol WYETH (US) 2005-07-21 — — US disclosed
US-20030207927-A1 Phenyl benzisoxazoles as estrogenic agents WYETH 2003-11-06 — — 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 (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-20030207927-A1 Phenyl benzisoxazoles as estrogenic agents ESR1, ESR2, GPER1 TRIM24 2694/4885TYR 3232/4885TRIM33 1761/4885
US-20050159465-A1 3-(4-Hydroxy-2-methylphenyl)-1,2-benzisoxazol-6-ol; estrogen receptor modulators; ability to compete with 17 beta -estradiol for both Estrogen Receptor alpha and Estrogen Receptor beta; Estrogen Receptor Selective Agonist Antagonist activity; anticancer, antiinflammatory, anticholesterol ESR2, ESR1, GPER1 TRIM24 1460/4885TYR 4236/4885TRIM33 1339/4885

“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.

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