SCHEMBL6544224

SCHEMBL6544224

CCc1c[c]cc(CC)c1O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.52
GABRB2 P47870 2/20 0.52
CYP2C9 P11712 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
DHFR P00374 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL27863649 0.85 GABRA1 (0.39) GABRA1GABRB2ESR1ESR2
SCHEMBL27787782 0.83 DHFR (0.47) GABRA1GABRB2CYP2C9CYP1A2CYP3A4
SCHEMBL7406801 0.80 ALDH1A1 (0.39) GABRA1GABRB2ALDH1A1
SCHEMBL6544890 0.79 PRKCI (0.38) GABRA1GABRB2DHFR
SCHEMBL27787830 0.79 SHBG (0.44) GABRA1GABRB2ESR1ESR2DHFR
SCHEMBL27876430 0.75 GABRA1 (0.34) GABRA1GABRB2ALOX15ALOX12ESR1
SCHEMBL8593252 0.75 TYR (0.44) GABRA1GABRB2CYP2C9CYP3A4ALOX15
SCHEMBL11811645 0.74 GABRA1 (0.35) GABRA1GABRB2CYP2C9CYP3A4ALOX15
SCHEMBL743996 0.74 GABRA1 (0.31) GABRA1GABRB2
SCHEMBL458311 0.74 ALDH1A1 (0.31) GABRA1GABRB2ALDH1A1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104428700-B Polarization plates and organic EL panel 日东电工株式会社 2017-03-01 CN disclosed
CN-106068177-A Increase material manufacture has the goods of anti-flammability, method for making and tests their method of anti-flammability 沙特基础工业全球技术有限公司 2016-11-02 CN disclosed
CN-104017199-B Polycarbonate and method for producing same 三菱化学株式会社 2016-08-31 CN disclosed
CN-102985489-B Method for producing polyphenylene ether resin composition MITSUBISHI ENG PLASTICS CORP 2015-06-10 CN disclosed
CN-102596524-B Production method for molded body of polyphenylene ether resin composition MITSUBISHI ENG PLASTICS CORP 2014-12-03 CN disclosed
CN-102869482-B Process for production of polyphenylene ether resin molded article MITSUBISHI ENG PLASTICS CORP 2014-11-05 CN disclosed
WO-2014121036-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 WO disclosed
US-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 US disclosed
CN-102985489-A Method for producing polyphenylene ether resin composition MITSUBISHI ENG PLASTICS CORP 2013-03-20 CN disclosed
CN-102869482-A Process for production of polyphenylene ether resin molded article MITSUBISHI ENG PLASTICS CORP 2013-01-09 CN disclosed
US-4772741-A STABILIZERS FOR POLYMERS MILLINCKRODT, INC. (US) 1988-09-20 US disclosed
EP-0069195-B1 STABILIZED ETHYLENE/CHLOROTRIFLUOROETHYLENE COPOLYMER COMPOSITION Ausimont, U.S.A., Inc. (US) 1988-08-24 EP disclosed
US-4734519-A STABILIZERS MALLINCKRODT, INC. (US) 1988-03-29 US disclosed
EP-0250087-A1 Pentaerythritol co-esters MALLINCKRODT, INC. (US) 1987-12-23 EP disclosed
US-4539354-A PHOSPHITE DERIVATIVE OF A PHENOL, A GROUP II METAL CARBOXYLATE ANDAN ESTER OF A POLYOL ALLIED CORPORATION (US) 1985-09-03 US disclosed
EP-0110682-A2 Activated aryl capped fluorescent compounds, and assay methods and systems using them as fluorogenic precursors SYVA COMPANY (US) 1984-06-13 EP disclosed
EP-0069195-A2 Stabilized ethylene/chlorotrifluoroethylene copolymer composition Ausimont, U.S.A., Inc. (US) 1983-01-12 EP disclosed
EP-0032586-A2 Durable polyester molding composition GAF CORPORATION (US) 1981-07-29 EP disclosed
US-4277391-A CONTAINING THREE DIFFERENT TYPES OF ANTIOXIDANTS GAF CORPORATION (US) 1981-07-07 US disclosed
US-4098760-A NON-MIGRATORY, NON-LEACHING UNIROYAL, INC. (US) 1978-07-04 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-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SRD5A2, PPARD, SRD5A1 GABRA1 2477/4885GABRB2 2444/4885CYP2C9 400/4885

“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.