SCHEMBL1245264

SCHEMBL1245264

CCC(C)c1cc(C)c(C)c(-c2cccc(C)c2C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
NUDT1 P36639 2/20 0.34
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NR3C1 P04150 2/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
MCL1 Q07820 1/20 0.32
SCN4A P35499 3/20 0.32
LMNA P02545 3/20 0.32
SCN1A P35498 2/20 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
SCHEMBL218508 0.71 TRPA1 (0.52) CNR1CNR2NUDT1ALDH1A1CYP1A2
SCHEMBL30834716 0.71 TRPA1 (0.52) CNR1CNR2NUDT1ALDH1A1CYP1A2
SCHEMBL29503546 0.70 ALDH1A1 (0.50) HDAC4HDAC2HDAC8USP2ALDH1A1
SCHEMBL11057467 0.70 ALDH1A1 (0.50) HDAC4HDAC2HDAC8USP2ALDH1A1
SCHEMBL19391606 0.69 ALDH1A1 (0.50) HDAC4HDAC2HDAC8USP2ALDH1A1
SCHEMBL27391011 0.69 TSHR (0.52) HDAC4HDAC2HDAC8PKMNR3C1
Hydrogen Sulfide SCHEMBL1538405 0.69 TRPA1 (0.50) CNR1CNR2NUDT1ALDH1A1CYP1A2
Ammonia Solution, Strong SCHEMBL22444763 0.69 TRPA1 (0.50) CNR1CNR2NUDT1ALDH1A1CYP1A2
Ammonia Solution, Strong SCHEMBL15862222 0.69 TRPA1 (0.50) CNR1CNR2NUDT1ALDH1A1CYP1A2
SCHEMBL24980950 0.67 CNR1 (0.39) CNR1CNR2NUDT1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1467958-B1 PROCESS FOR PREPARING 3,3',5,5',6,6'-HEXAALKYL-2,2'-BIPHENOLS, 3,3',4,4',5,5'-HEXAALKYL-2,2'-BIPHENOLS AND 3,3',4,4',5,5',6,6'-OCTAALKYL-2,2'-BIPHENOLS INVISTA TECH SARL (CH) 2014-01-08 EP disclosed
EP-2279993-A1 Process for preparing 3,3',5,5',6,6'-hexaalkyl-2,2'-biphenols, 3,3',4,4',5,5'-hexaalkyl-2,2'-biphenols and 3,3',4,4',5,5',6,6'-octaalkyl-2,2'-biphenols INVISTA Technologies S.à.r.l. (CH) 2011-02-02 EP disclosed
US-20030100802-A1 Process for preparing 3,3',5,5',6,6'-hexaalkyl-2,2'-biphenols,3,3',4,4',5,5'-hexaalkyl-2,2'-biphenols and 3,3',4,4',5,5',6,6'-octaalkyl-2,2'-biphenols SHAPIRO RAFAEL (US) 2003-05-29 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-20030100802-A1 Process for preparing 3,3',5,5',6,6'-hexaalkyl-2,2'-biphenols,3,3',4,4',5,5'-hexaalkyl-2,2'-biphenols and 3,3',4,4',5,5',6,6'-octaalkyl-2,2'-biphenols CYP4B1, UGT1A4, CYP4X1 HDAC4 2890/4885HDAC2 3595/4885HDAC8 4494/4885

“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.