SCHEMBL172725

SCHEMBL172725

Cc1cc(C)c(B2OCC(C)(C)CO2)c(C)c1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 1/20 0.30
▸ HTR2B P41595 1/20 0.30
▸ TMEM97 Q5BJF2 1/20 0.30
▸ SIGMAR1 Q99720 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
SCHEMBL7163831 0.79 RAPGEF4 (0.33) —
SCHEMBL12370898 0.78 SNCA (0.35) —
SCHEMBL12205429 0.72 LPL (0.37) —
SCHEMBL9964538 0.72 CASP6 (0.32) —
SCHEMBL5892505 0.72 SNCA (0.30) —
SCHEMBL2538252 0.72 SNCA (0.38) —
SCHEMBL14241036 0.71 RAPGEF4 (0.38) —
SCHEMBL9964539 0.70 VDR (0.31) —
SCHEMBL12370809 0.69 SNCA (0.41) —
SCHEMBL16626289 0.69 SNCA (0.39) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6559310-B2 Reacting a halogen aromatic derivative at a coupling position with a diboron derivative in the presence of a Group VIII metal catalyst and a suitable base for covalently coupling organic compounds COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2003-05-06 — — US claimed
US-20020193604-A1 Aryl borates COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2002-12-19 — — US claimed
EP-0986541-A4 PROCESS FOR COVALENTLY COUPLING ORGANIC COMPOUNDS UTILIZING DIBORON DERIVATIVES COMMW SCIENT IND RES ORG (AU) 2002-08-14 — — EP claimed
US-20020032339-A1 ARYL BORATES BORON MOLECULAR LIMITED (AU) 2002-03-14 — — US claimed
EP-0986541-A1 PROCESS FOR COVALENTLY COUPLING ORGANIC COMPOUNDS UTILIZING DIBORON DERIVATIVES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2000-03-22 — — EP claimed
WO-1998045265-A1 PROCESS FOR COVALENTLY COUPLING ORGANIC COMPOUNDS UTILIZING DIBORON DERIVATIVES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1998-10-15 — — WO claimed
EP-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 — — EP disclosed
US-7462625-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-12-09 — — US disclosed
US-7462625-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-12-09 — — US disclosed
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-09-06 — — US disclosed
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-09-06 — — US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 — — US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 — — 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 (3 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-20020193604-A1 Aryl borates BRD4, ABL1, BRD3 HTR7 3063/4885HTR2B 2195/4885TMEM97 3982/4885
US-20020032339-A1 ARYL BORATES TBCB, HAT1, UBE2B HTR7 2793/4885HTR2B 413/4885TMEM97 4004/4885
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR HTR7 439/4885HTR2B 240/4885TMEM97 1362/4885

“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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