SCHEMBL3015832

SCHEMBL3015832

O=C(O)C1(c2ccccc2)CCC(OCC2CC2)(c2ccc(Br)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.43
ALOX15 P16050 1/20 0.36
KMT2A Q03164 4/20 0.35
TET3 O43151 1/20 0.35
FBXL19 Q6PCT2 1/20 0.35
CXXC5 Q7LFL8 1/20 0.35
TET1 Q8NFU7 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
CXXC4 Q9H2H0 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL3008631 0.88 AKR1C1 (0.41) AKR1C1ALOX15KMT2ATET3FBXL19
SCHEMBL3018758 0.88 AKR1C1 (0.43) AKR1C1ALOX15ALDH1A1CYP2C19
SCHEMBL3013540 0.87 AKR1C1 (0.42) AKR1C1ALOX15ALDH1A1CYP2C19
SCHEMBL3018711 0.85 APP (0.44) AKR1C1CYP2C19
SCHEMBL3015150 0.80 IDO1 (0.44) AKR1C1
SCHEMBL3028558 0.80 AKR1C1 (0.40) AKR1C1
SCHEMBL3013542 0.79 NPSR1 (0.39) ALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL13213338 0.78 AKR1C1 (0.49) AKR1C1ALOX15KMT2ATET3FBXL19
SCHEMBL13213339 0.78 AKR1C1 (0.49) AKR1C1ALOX15KMT2ATET3FBXL19
SCHEMBL3019860 0.78 OPRM1 (0.39) KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2164825-B1 DI(HETERO)ARYLCYCLOHEXANE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM SANOFI SA (FR) 2014-04-30 EP disclosed
US-8076324-B2 Di(hetero)arylcyclohexane derivatives, their preparation, their use and pharmaceutical compositions comprising them SANOFI-AVENTIS (FR) 2011-12-13 US disclosed
US-20100204206-A1 Di(hetero)arylcyclohexane derivatives, their preparation, their use and pharmaceutical compositions comprising them SANOFI-AVENTIS (FR) 2010-08-12 US disclosed
EP-2164825-A1 DI(HETERO)ARYLCYCLOHEXANE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Sanofi-Aventis (FR) 2010-03-24 EP disclosed
WO-2008148468-A1 DI(HETERO)ARYLCYCLOHEXANE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM SANOFI-AVENTIS (FR) 2008-12-11 WO 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-20100204206-A1 Di(hetero)arylcyclohexane derivatives, their preparation, their use and pharmaceutical compositions comprising them ATP2A1, ATP2A2, RYR2 AKR1C1 338/4885ALOX15 2223/4885KMT2A 3292/4885

“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.