SCHEMBL6375342

SCHEMBL6375342

CCCc1cc(OC)c(CCC)cc1Br

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.57
TAAR1 Q96RJ0 5/20 0.55
HTR2C P28335 1/20 0.55
HMGCR P04035 1/20 0.53
SMN1; SMN2 Q16637 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
SCHEMBL3469319 0.90 HMGCR (0.60) HTR2ATAAR1HTR2CHMGCRSMN1; SMN2
SCHEMBL25513088 0.88 HTR2A (0.72) HTR2ATAAR1HTR2CHMGCR
SCHEMBL31520294 0.88 HTR2A (0.72) HTR2ATAAR1HTR2CHMGCR
SCHEMBL30136435 0.83 HMGCR (0.67) HTR2ATAAR1HTR2CHMGCR
SCHEMBL2496360 0.83 HMGCR (0.67) HTR2ATAAR1HTR2CHMGCR
SCHEMBL28748249 0.83 HMGCR (0.67) HTR2ATAAR1HTR2CHMGCR
SCHEMBL26707584 0.82 HMGCR (0.37) HTR2ATAAR1HTR2CHMGCRSMN1; SMN2
SCHEMBL12892627 0.81 TAAR1 (0.70) HTR2ATAAR1HTR2CHMGCR
SCHEMBL14581261 0.81 SMN1; SMN2 (0.47) HTR2ATAAR1HTR2CHMGCRSMN1; SMN2
SCHEMBL26080665 0.80 HTR2A (0.56) HTR2ATAAR1HTR2CHMGCR

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 HTR2A 981/4885TAAR1 2445/4885HTR2C 386/4885
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 HTR2A 890/4885TAAR1 1562/4885HTR2C 568/4885

“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.