SCHEMBL6162929

SCHEMBL6162929

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP3 P42574 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL15068155 0.90 NPC1 (0.33) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL5053443 0.80 NPC1 (0.32) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL6678233 0.80 NPC1 (0.32) NPC1RAB9ALMNAMAPK1CASP3
Hydrochloric Acid SCHEMBL11729554 0.79 NPC1 (0.36) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL15067863 0.78 SHBG (0.39) SMN1; SMN2
SCHEMBL7850423 0.77 NPC1 (0.33) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL780091 0.74 NPC1 (0.43) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL15067135 0.72 SHBG (0.38) SMN1; SMN2
SCHEMBL23495993 0.71 ALDH1A1 (0.30) SMN1; SMN2
SCHEMBL5550734 0.69 NPC1 (0.33) NPC1RAB9ALMNAMAPK1CASP3

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 25 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
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
US-10315975-B2 Method for the hydroformylation of 2-substituted butadienes and the production of secondary products thereof, especially ambrox BASF SE (DE) 2019-06-11 US disclosed
US-20180273458-A1 METHOD FOR THE HYDROFORMYLATION OF 2-SUBSTITUTED BUTADIENES AND THE PRODUCTION OF SECONDARY PRODUCTS THEREOF, ESPECIALLY AMBROX RUPRECHT-KARLS-UNIVERSITAT HEIDELBERG (DE) 2018-09-27 US disclosed
US-9108988-B2 Method of purifying organic diphosphite compounds BASF SE (DE) 2015-08-18 US disclosed
EP-2797939-A1 METHOD FOR PURIFYING ORGANIC DIPHOSPHITE COMPOUNDS BASF SE (DE) 2014-11-05 EP disclosed
US-20130225849-A1 METHOD OF PURIFYING ORGANIC DIPHOSPHITE COMPOUNDS BASF SE (DE) 2013-08-29 US disclosed
WO-2013098368-A1 METHOD FOR PURIFYING ORGANIC DIPHOSPHITE COMPOUNDS BASF SE (DE) 2013-07-04 WO 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
EP-1066236-A4 PROCESS FOR HYDROCARBONYLATIONS IN SUPERCRITICAL CARBON DIOXIDE RES FOUNDATION OF (US) 2001-06-06 EP disclosed
EP-1066236-A1 PROCESS FOR HYDROCARBONYLATIONS IN SUPERCRITICAL CARBON DIOXIDE The Research Foundation of State University of New York (US) 2001-01-10 EP disclosed
EP-1008581-A1 Process for producing aldehyde MITSUBISHI CHEMICAL CORPORATION (JP) 2000-06-14 EP disclosed
WO-1999050214-A1 PROCESS FOR HYDROCARBONYLATIONS IN SUPERCRITICAL CARBON DIOXIDE THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1999-10-07 WO 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 (4 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-10315975-B2 Method for the hydroformylation of 2-substituted butadienes and the production of secondary products thereof, especially ambrox ALOX12, ALOX15, ALOX5 NPC1 2521/4885RAB9A 2892/4885LMNA 2087/4885
US-20130225849-A1 METHOD OF PURIFYING ORGANIC DIPHOSPHITE COMPOUNDS DCTPP1, DCPS, PPIP5K2 NPC1 1954/4885RAB9A 4044/4885LMNA 3922/4885
US-20180273458-A1 METHOD FOR THE HYDROFORMYLATION OF 2-SUBSTITUTED BUTADIENES AND THE PRODUCTION OF SECONDARY PRODUCTS THEREOF, ESPECIALLY AMBROX ALOX12, ALOX15, ALOX5 NPC1 2521/4885RAB9A 2892/4885LMNA 2087/4885
US-20020049355-A1 Process for producing aldehyde ALDH2, OGDH, HAO2 NPC1 3305/4885RAB9A 1431/4885LMNA 4807/4885

“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.