SCHEMBL6161512

SCHEMBL6161512

CCC(C)(C)c1[c]c(-c2[c]c(C(C)(C)CC)cc3ccccc23)c2ccccc2c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 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
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 1/20 0.33
HTR2A P28223 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP2A6 P11509 1/20 0.32
HIF1A Q16665 1/20 0.32
CYP1B1 Q16678 1/20 0.32
CHRNB2 P17787 1/20 0.31

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
SCHEMBL2882999 0.82 ALDH1A1 (0.37) ALDH1A1CYP1A2HSD17B10HPGDHTR2A
SCHEMBL6162989 0.80 NPC1 (0.37) NPC1LMNAMAPK1CASP3RAB9A
SCHEMBL8574721 0.73 CYP2A6 (0.35) NPC1LMNAMAPK1CASP3RAB9A
SCHEMBL7950716 0.72 ALDH1A1 (0.33) ALDH1A1CYP1A2HSD17B10HPGDCYP2A6
SCHEMBL4619939 0.71 NPC1 (0.32) NPC1LMNAMAPK1CASP3RAB9A
SCHEMBL2498899 0.68 NPC1 (0.31) NPC1LMNAMAPK1CASP3RAB9A
SCHEMBL2885158 0.67 CYP1A2 (0.45) ALDH1A1CYP1A2HSD17B10HPGDHTR2A
SCHEMBL677804 0.66 NPC1 (0.33) NPC1LMNAMAPK1CASP3RAB9A
SCHEMBL2127614 0.66 ALDH1A1 (0.43) ALDH1A1CYP1A2HSD17B10HPGDCYP2A6
SCHEMBL6162150 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1312598-B1 Process for producing aldehyde MITSUBISHI CHEM CORP (JP) 2005-02-16 EP disclosed
EP-1008581-B1 Process for producing aldehyde MITSUBISHI CHEM CORP (JP) 2004-04-21 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
EP-1008581-A1 Process for producing aldehyde MITSUBISHI CHEMICAL CORPORATION (JP) 2000-06-14 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 (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-20020049355-A1 Process for producing aldehyde ALDH2, OGDH, HAO2 NPC1 3305/4885LMNA 4807/4885MAPK1 3949/4885

“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.