SCHEMBL3121979

SCHEMBL3121979

CC(C)(C)c1[c]c(-c2[c]c(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
POLB P06746 1/20 0.36
HTR1D P28221 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL150439 0.87 GABRA1 (0.43) GABRA1GABRB2POLBHTR1DALDH1A1
SCHEMBL7951297 0.82 RXRA (0.37) GABRA1GABRB2ALDH1A1
SCHEMBL15068155 0.81 NPC1 (0.33)
SCHEMBL15067135 0.79 SHBG (0.38) ALDH1A1ALOX15HSD17B10
SCHEMBL248234 0.78 POLB (0.39) GABRA1GABRB2POLBHTR1D
SCHEMBL6165725 0.75 ALDH1A1 (0.36) POLBALDH1A1
SCHEMBL1291247 0.75 GABRA1 (0.34) GABRA1GABRB2POLBHTR1D
SCHEMBL11238235 0.75 GABRA1 (0.34) GABRA1GABRB2POLB
SCHEMBL1720320 0.75 HTR1D (0.36) GABRA1GABRB2POLBHTR1D
SCHEMBL27369343 0.73 GABRA1 (0.33) GABRA1GABRB2POLBHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2797939-B1 METHOD FOR PURIFYING ORGANIC DIPHOSPHITE COMPOUNDS BASF SE (DE) 2018-10-31 EP claimed
US-9108988-B2 Method of purifying organic diphosphite compounds BASF SE (DE) 2015-08-18 US claimed
EP-2797939-A1 METHOD FOR PURIFYING ORGANIC DIPHOSPHITE COMPOUNDS BASF SE (DE) 2014-11-05 EP claimed
US-20130225849-A1 METHOD OF PURIFYING ORGANIC DIPHOSPHITE COMPOUNDS BASF SE (DE) 2013-08-29 US claimed
WO-2013098368-A1 METHOD FOR PURIFYING ORGANIC DIPHOSPHITE COMPOUNDS BASF SE (DE) 2013-07-04 WO claimed
CN-108026062-B Process for the hydroformylation of 2-substituted butadienes and process for the production of secondary products thereof, in particular ambrox 巴斯夫欧洲公司 2022-04-12 CN disclosed
EP-3319951-B1 METHOD FOR THE HYDROFORMYLATION OF 2-SUBSTITUTED BUTADIENES AND FOR THE PREPARATION OF PRODUCTS DERIVED FROM SAME, PARTICULARLY FROM AMBROX BASF SE (DE) 2021-09-08 EP disclosed
CN-113166470-A Method for stabilizing virgin thermoplastic materials and stabilized plastic compositions, molding compounds and moldings produced therefrom, stabilizer composition and use thereof 弗劳恩霍夫应用研究促进协会 2021-07-23 CN disclosed
CN-108495888-B Additive mixture for stabilizing polyols and polyurethanes 巴斯夫欧洲公司 2021-03-02 CN disclosed
EP-3055341-B1 PREPARATION OF SILOXANE-CONTAINING BLOCK COPOLYCARBONATES BY MEANS OF REACTIVE EXTRUSION COVESTRO DEUTSCHLAND AG (DE) 2019-10-02 EP disclosed
EP-2797939-B1 METHOD FOR PURIFYING ORGANIC DIPHOSPHITE COMPOUNDS BASF SE (DE) 2018-10-31 EP disclosed
EP-3099731-A1 POLYSILOXANE-POLYCARBONATE BLOCK COCONDENSATES WITH IMPROVED RHEOLOGICAL PROPERTIES Covestro Deutschland AG (DE) 2016-12-07 EP disclosed
US-6583324-B2 By hydroformylation with rhodium complex catalyst containing an organic phosphite ligand; preventing catalyst poisoning by having the aldehyde remain in the catalyst solution in the separation step MITSUBISHI CHEMICAL CORPORATION (JP) 2003-06-24 US disclosed
EP-1312598-A1 Process for producing aldehyde MITSUBISHI CHEMICAL CORPORATION (JP) 2003-05-21 EP disclosed
US-20020049355-A1 Process for producing aldehyde MITSUBISHI CHEMICAL CORPORATION (JP) 2002-04-25 US disclosed
US-6291717-B1 REACTING OLEFINIC COMPOUND WITH CARBON MONOXIDE AND HYDROGEN IN THE PRESENCE OF A RHODIUM COMPLEX CATALYST COMPRISING RHODIUM AND ORGANIC PHOSPHITE IN REACTION ZONE; SEPARATING CATALYST AND ALDEHYDE; RECYCLING CATALYST SOLUTION MITSUBISHI CHEMICAL CORPORATION (JP) 2001-09-18 US disclosed
US-6265620-B1 REACTING OLEFINIC COMPOUND WITH CARBON MONOXIDE AND HYDROGEN IN PRESENCE OF CATALYST CONTAINING METAL OF GROUP 8 TO 10 AND TRIVALENT ORANIC PHOSPHORUS COMPOUND TO PRODUCE ALDEHYDE MITSUBISHI CHEMICAL CORPORATION (JP) 2001-07-24 US disclosed
EP-1008581-A1 Process for producing aldehyde MITSUBISHI CHEMICAL CORPORATION (JP) 2000-06-14 EP disclosed
US-5962744-A USING CATALYST COMPLEX CONTAINING TRANSITION METAL AND PHOSPHITE LIGAND THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1999-10-05 US disclosed
US-5910600-A Bisphosphite compound, process for its production and hydroformylation process employing the bisphosphite compound MITSUBISHI CHEMICAL CORPORATION (JP) 1999-06-08 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-20130225849-A1 METHOD OF PURIFYING ORGANIC DIPHOSPHITE COMPOUNDS DCTPP1, DCPS, PPIP5K2 GABRA1 4636/4885GABRB2 4434/4885POLB 268/4885
US-20020049355-A1 Process for producing aldehyde ALDH2, OGDH, HAO2 GABRA1 1848/4885GABRB2 1720/4885POLB 705/4885

“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.