SCHEMBL6341806

SCHEMBL6341806

CC(C)c1[nH]c2ccccc2c1Cc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.54
FNTA P49354 4/20 0.48
FNTB P49356 4/20 0.48
PKM P14618 1/20 0.43
MAPK10 P53779 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
VKORC1 Q9BQB6 1/20 0.41
ATM Q13315 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL10806849 0.82 ATM (0.54) CYP11B1CYP11B2ATMRXFP1
SCHEMBL11037967 0.76 FNTA (0.47) FNTAFNTBPKMMAPK10VKORC1
SCHEMBL12425596 0.75 TBXAS1 (0.56) TBXAS1FNTAFNTB
SCHEMBL11561617 0.74 TAAR1 (0.57) TBXAS1
SCHEMBL13408067 0.73 TBXAS1 (0.56) TBXAS1
SCHEMBL6216616 0.72 CHRNB2 (0.55) TBXAS1PKM
SCHEMBL11048258 0.71 FNTA (0.51) FNTAFNTBPKMMAPK10VKORC1
SCHEMBL11346119 0.70 TBXAS1 (1.00) TBXAS1CYP11B1CYP11B2
SCHEMBL8253461 0.70 CHRNB2 (0.56) TBXAS1
SCHEMBL11048261 0.70 TBXAS1 (0.54) TBXAS1FNTAFNTBPKMMAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080260-A1 Preparation of prodrugs for selective drug delivery LUMINIDE 2005-04-14 US claimed
US-20050080260-A1 Preparation of prodrugs for selective drug delivery LUMINIDE 2005-04-14 US disclosed
US-6555663-B1 Pharmaceuticals which are activated intracellularly by reaction with cellular electron carriers or free radicals to cause release of a free and active drug molecule MILLS RANDELL LEE (US) 2003-04-29 US disclosed
EP-0414730-B1 Chemical Compounds and pharmaceutical compositions capable of releasing a drug MILLS RANDELL L (US) 1999-12-15 EP disclosed
US-5773592-A COMPRISES A CHEMILUMINESCENT MOIETY, A PHOTOCHROMIC MOIETY AND A BIOLOGICALLY ACTIVE AGENT CAPABLE OF BEING RELEASED MILLS RANDELL LEE (US) 1998-06-30 US disclosed
US-5428163-A Luminides; chemiluminescence; redox system, releasing free drug MILLS RANDELL L (US) 1995-06-27 US disclosed
EP-0414730-A4 LUMINIDE AND MACROLUMINIDE CLASS OF PHARMACEUTICALS 1993-06-16 EP disclosed
EP-0414730-A1 LUMINIDE AND MACROLUMINIDE CLASS OF PHARMACEUTICALS Mills, Randell L. (US) 1991-03-06 EP disclosed
WO-1989009833-A1 LUMINIDE AND MACROLUMINIDE CLASS OF PHARMACEUTICALS MILLS RANDELL L (US) 1989-10-19 WO disclosed
EP-0265129-A1 Thrombolytic therapy SMITHKLINE BEECHAM CORPORATION (US) 1988-04-27 EP disclosed
US-4374845-A INHIJBIT DIOSYNTHESIS OF THROMBOXANE A2, ANTIINFLAMMATORY, ANTICOAGULANTS, CARDIOVASCULAR DISORDERS KISSEI PHARMACEUTICAL CO. (JP) 1983-02-22 US disclosed
US-4346099-A Carboxy-imidazole derivatives, compositions and use ONO PHARMACEUTICAL CO., LTD. (JP) 1982-08-24 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-20050080260-A1 Preparation of prodrugs for selective drug delivery APEH, PAH, ALAD TBXAS1 2312/4885FNTA 2619/4885FNTB 2072/4885

“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.