SCHEMBL1245481

SCHEMBL1245481

Cc1cc(C2CCCC2)c(-c2c(C3CCCC3)cc(C)c(C)c2O)c(O)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSP90AA1 P07900 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
PSMB5 P28074 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
BCL2L1 Q07817 1/20 0.33
NUDT1 P36639 1/20 0.33
BACE1 P56817 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
ELAVL1 Q15717 1/20 0.31
NR1I2 O75469 1/20 0.31
KDM4B O94953 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 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
SCHEMBL1244585 0.98 HSP90AA1 (0.38) MEN1KMT2AHSP90AA1KDM4EMAPT
SCHEMBL1245169 0.83 KDM4E (0.38) MEN1KMT2AHSP90AA1KDM4EMAPT
SCHEMBL11705589 0.79 KDM4E (0.38) MEN1KMT2AHSP90AA1KDM4EMAPT
SCHEMBL10698817 0.79 KDM4E (0.41) MEN1KMT2AHSP90AA1KDM4EMAPT
SCHEMBL21808459 0.77 KDM4E (0.42) MEN1KMT2AHSP90AA1KDM4EMAPT
SCHEMBL28386966 0.77 KDM4E (0.39) MEN1KMT2AHSP90AA1KDM4EMAPT
SCHEMBL15488479 0.74 PSMB5 (0.41) MEN1KMT2AHSP90AA1KDM4EMAPT
SCHEMBL1243046 0.74 NUDT1 (0.42) MEN1KMT2AHSP90AA1KDM4EMAPT
SCHEMBL1245161 0.72 NUDT1 (0.45) MEN1KMT2AHSP90AA1KDM4EMAPT
SCHEMBL11324503 0.72 NUDT1 (0.41) MEN1KMT2AHSP90AA1KDM4EMAPT

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 MEN1 1975/4885KMT2A 2652/4885HSP90AA1 3321/4885

“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.