SCHEMBL1244523

SCHEMBL1244523

CCC(C)c1cc(C)c(C)c(O)c1-c1c(C(C)CC)cc(C)c(C)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
RORC P51449 1/20 0.40
GAA P10253 2/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 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
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL1244603 0.85 TSHR (0.42) TSHRRORCGAAUSP2ALDH1A1
SCHEMBL214386 0.79 GABRA1 (0.46) TSHRGAAHPGDGABRA1GABRB1
SCHEMBL14995967 0.74 BCL2L1 (0.41) TSHRRORCGAAUSP2ALDH1A1
SCHEMBL1244536 0.74 TSHR (0.52) TSHRRORCGAAUSP2ALDH1A1
SCHEMBL11525827 0.73 TSHR (0.50) TSHRRORCGAAUSP2ALDH1A1
SCHEMBL16168705 0.72 TSHR (0.50) TSHRRORCGAAUSP2ALDH1A1
SCHEMBL1245470 0.72 TSHR (0.50) TSHRRORCGAAUSP2ALDH1A1
SCHEMBL11705699 0.72 TSHR (0.50) TSHRRORCGAAUSP2ALDH1A1
SCHEMBL6943323 0.71 TSHR (0.48) TSHRRORCGAAUSP2ALDH1A1
SCHEMBL5521906 0.71 TSHR (0.48) TSHRRORCGAAUSP2ALDH1A1

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 TSHR 4646/4885RORC 1658/4885GAA 910/4885

“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.