SCHEMBL3022473

SCHEMBL3022473

CSc1cc(F)cc([C@]2(OCC3CC3)CC[C@@](C(=O)O)(c3ccc(OCCO)cc3)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
APP P05067 7/20 0.35
CYP2C9 P11712 5/20 0.35
CYP2C19 P33261 5/20 0.35
CYP3A4 P08684 5/20 0.35
CYP2D6 P10635 3/20 0.35
CYP1A2 P05177 1/20 0.35
ALOX5AP P20292 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
FFAR4 Q5NUL3 2/20 0.33
TET3 O43151 1/20 0.32
FBXL19 Q6PCT2 1/20 0.32
CXXC5 Q7LFL8 1/20 0.32
TET1 Q8NFU7 1/20 0.32
KDM2B Q8NHM5 1/20 0.32
CXXC4 Q9H2H0 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
AKR1B10 O60218 1/20 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
SCHEMBL3022476 1.00 KMT2A (0.40) KMT2AMEN1TSHRAPPCYP2C9
SCHEMBL3022471 1.00 KMT2A (0.40) KMT2AMEN1TSHRAPPCYP2C9
SCHEMBL3012443 0.91 APP (0.37) KMT2AMEN1TSHRAPPCYP2C9
SCHEMBL3012446 0.91 APP (0.37) KMT2AMEN1TSHRAPPCYP2C9
SCHEMBL3012439 0.91 APP (0.37) KMT2AMEN1TSHRAPPCYP2C9
SCHEMBL3025916 0.89 APP (0.37) KMT2AMEN1TSHRAPPCYP2C9
SCHEMBL3025913 0.89 APP (0.37) KMT2AMEN1TSHRAPPCYP2C9
SCHEMBL3025910 0.89 APP (0.37) KMT2AMEN1TSHRAPPCYP2C9
SCHEMBL3020002 0.73 CYP3A4 (0.36) KMT2AMEN1APPCYP2C9CYP2C19
SCHEMBL3020006 0.73 CYP3A4 (0.36) KMT2AMEN1APPCYP2C9CYP2C19

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 KMT2A 3292/4885MEN1 4326/4885TSHR 2608/4885

“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.