SCHEMBL6380377

SCHEMBL6380377

COc1ccc(C(=O)c2cc(OC)cc(Br)c2O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
RAB9A P51151 3/20 0.57
NPSR1 Q6W5P4 2/20 0.57
KMT2A Q03164 2/20 0.57
LMNA P02545 2/20 0.57
MAPK1 P28482 2/20 0.57
RXFP1 Q9HBX9 2/20 0.57
MEN1 O00255 1/20 0.57
HTT P42858 2/20 0.57
SLC22A12 Q96S37 4/20 0.56
NPC1 O15118 3/20 0.55
ALDH1A1 P00352 3/20 0.51
POLB P06746 1/20 0.50
HPGD P15428 2/20 0.49
CYP1A2 P05177 1/20 0.49
PGR P06401 1/20 0.49
CYP2D6 P10635 1/20 0.49
SLC6A2 P23975 1/20 0.49
PDE4A P27815 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL6377103 0.78 MGLL (0.50) MAPTRAB9ANPSR1KMT2ALMNA
SCHEMBL6377101 0.78 MGLL (0.50) MAPTRAB9ANPSR1KMT2ALMNA
SCHEMBL6374455 0.78 MAPT (0.67) MAPTRAB9ANPSR1KMT2ALMNA
SCHEMBL30601557 0.78 CYP3A4 (0.50) MAPTRAB9AKMT2ALMNAMAPK1
SCHEMBL3922933 0.78 CYP3A4 (0.50) MAPTRAB9AKMT2ALMNAMAPK1
SCHEMBL27454175 0.77 MAPT (0.57) MAPTRAB9ANPSR1KMT2ALMNA
SCHEMBL11575471 0.77 KMT2A (0.66) MAPTRAB9ANPSR1KMT2ALMNA
SCHEMBL24149128 0.76 MAPT (0.65) MAPTRAB9ANPSR1KMT2ALMNA
SCHEMBL20157414 0.76 NPC1 (0.58) MAPTRAB9ANPSR1KMT2ALMNA
SCHEMBL20157601 0.76 MAPT (0.64) MAPTRAB9ANPSR1KMT2ALMNA

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 3 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-6884814-B2 Phenyl benzisoxazoles as estrogenic agents WYETH (US) 2005-04-26 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 MAPT 3937/4885RAB9A 2734/4885NPSR1 446/4885
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 MAPT 4625/4885RAB9A 4335/4885NPSR1 471/4885

“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.