SCHEMBL2116455

SCHEMBL2116455

CCC(C)Sc1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IFNAR1 P17181 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
CYP2A6 P11509 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
MAPT P10636 1/20 0.37
RAD52 P43351 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ELANE P08246 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 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
SCHEMBL2116696 0.80 IFNAR1 (0.43) IFNAR1ALDH1A1LMNAMAPK1NPY1R
SCHEMBL29217978 0.77 IFNAR1 (0.41) IFNAR1ALDH1A1LMNAMAPK1NPY1R
SCHEMBL9342243 0.77 CYP1A2 (0.45) IFNAR1ALDH1A1LMNAMAPK1NPY1R
SCHEMBL11454833 0.77 IFNAR1 (0.41) IFNAR1ALDH1A1LMNAMAPK1NPY1R
SCHEMBL22753255 0.75 USP2 (0.33) ALDH1A1CYP2A6CYP1A2CYP2C19ELANE
SCHEMBL24505626 0.75 TSHR (0.36) LMNAMAPK1
SCHEMBL199564 0.75 GABRA1 (0.42) ALDH1A1LMNACYP1A2CYP2C19CYP2C9
SCHEMBL28453475 0.74 IFNAR1 (0.40) IFNAR1ALDH1A1LMNAMAPK1NPY1R
SCHEMBL5315813 0.73 POLB (0.42) ALDH1A1SMN1; SMN2
SCHEMBL15867153 0.72 DRD1 (0.41) IFNAR1ALDH1A1LMNAMAPK1NPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDTJYLLAND (DK) 2013-05-16 US claimed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 US claimed
EP-2398760-A1 ALLOSTERIC BINDING COMPOUNDS Aarhus Universitet (DK) 2011-12-28 EP claimed
WO-2010094289-A1 ALLOSTERIC BINDING COMPOUNDS AARHUS UNIVERSITET (DK) 2010-08-26 WO claimed
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDTJYLLAND (DK) 2013-05-16 US disclosed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 US disclosed
EP-2398760-A1 ALLOSTERIC BINDING COMPOUNDS Aarhus Universitet (DK) 2011-12-28 EP disclosed
WO-2010094289-A1 ALLOSTERIC BINDING COMPOUNDS AARHUS UNIVERSITET (DK) 2010-08-26 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 (2 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-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B IFNAR1 2195/4885ALDH1A1 3676/4885LMNA 4749/4885
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B IFNAR1 2195/4885ALDH1A1 3676/4885LMNA 4749/4885

“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.