SCHEMBL1728478

SCHEMBL1728478

O=Cc1cccc(N2C(=O)C=CC2=O)c1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 14/20 0.67
▸ FAAH O00519 8/20 0.67
▸ HSP90AA1 P07900 3/20 0.56
▸ ALDH1A1 P00352 2/20 0.55
▸ PKM P14618 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ ATM Q13315 1/20 0.55
▸ HPN P05981 1/20 0.50
▸ FGFR1 P11362 1/20 0.44

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
SCHEMBL9171144 0.86 MGLL (0.50) MGLLFAAHHSP90AA1ALDH1A1PKM
SCHEMBL9718088 0.83 MGLL (0.64) MGLLFAAHHSP90AA1ALDH1A1PKM
SCHEMBL1838889 0.81 MGLL (1.00) MGLLFAAHHSP90AA1ALDH1A1PKM
SCHEMBL94730 0.81 MGLL (1.00) MGLLFAAHHSP90AA1ALDH1A1PKM
SCHEMBL1920290 0.79 L3MBTL1 (0.58) MGLLFAAHALDH1A1PKMFGFR1
SCHEMBL30958998 0.79 MGLL (0.95) MGLLFAAHHSP90AA1ALDH1A1PKM
SCHEMBL5067113 0.79 MGLL (0.57) MGLLFAAHHSP90AA1ALDH1A1PKM
Water SCHEMBL5808596 0.77 MGLL (0.91) MGLLFAAHHSP90AA1ALDH1A1PKM
SCHEMBL7832034 0.76 PRMT1 (0.62) MGLLFAAHHSP90AA1ALDH1A1PKM
SCHEMBL7832036 0.76 PRMT1 (0.62) MGLLFAAHHSP90AA1ALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431655-B2 Curatives for epoxy compositions DESIGNER MOLECULES, INC. (US) 2013-04-30 — — US disclosed
US-20130025495-A1 COMPOSITIONS COMPRISING A REACTIVE MONOMER AND USES THEREOF ISP INVESTMENTS INC. (US) 2013-01-31 — — US disclosed
WO-2012033298-A3 METHOD FOR MANUFACTURING A NOX GAS SENSOR, AND NOX GAS SENSOR MANUFACTURED USING SAME 일진머티리얼즈 주식회사 (KR) 2012-05-10 — — WO disclosed
EP-2006289-B1 PYRAZOLE-TYPE CYANINE DYE WAKO PURE CHEM IND LTD (JP) 2011-11-30 — — EP disclosed
US-20100249276-A1 CURATIVES FOR EPOXY COMPOSITIONS DESIGNER MOLECULES, INC. (US) 2010-09-30 — — US disclosed
US-20100113643-A1 CURATIVES FOR EPOXY ADHESIVE COMPOSITIONS DESIGNER MOLECULES, INC. (US) 2010-05-06 — — US disclosed
EP-2006289-A1 PYRAZOLE-TYPE CYANINE DYE Wako Pure Chemical Industries, Ltd. (JP) 2008-12-24 — — EP disclosed
US-6251858-B1 DERIVATIVES OF GLYCOSYLAMINE IN WHICH THE OLIGOSIDES ARE FIXED ON AT LEAST ONE MOLECULE, MATRIX OR PARTICLE I.D.M. IMMUNO-DESIGNED MOLECULES (FR) 2001-06-26 — — US disclosed
EP-0766689-B1 NOVEL OLIGOSACCHARIDE DERIVATIVES, PREPARATION METHOD THEREFOR AND USES THEREOF IDM IMMUNO DESIGNED MOLECULES (FR) 1999-10-20 — — EP 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-20130025495-A1 COMPOSITIONS COMPRISING A REACTIVE MONOMER AND USES THEREOF MEP1A, MACF1, CYP1B1 MGLL 1404/4885FAAH 2247/4885HSP90AA1 1123/4885
US-20100249276-A1 CURATIVES FOR EPOXY COMPOSITIONS ALOX5, LTC4S, ALOX15B MGLL 3323/4885FAAH 145/4885HSP90AA1 415/4885
US-20100113643-A1 CURATIVES FOR EPOXY ADHESIVE COMPOSITIONS ALOX5, LTC4S, ALOX15B MGLL 3533/4885FAAH 214/4885HSP90AA1 438/4885

“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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