SCHEMBL2117748

SCHEMBL2117748

COCCSc1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 9/20 0.43
POLB P06746 4/20 0.43
TDP1 Q9NUW8 4/20 0.43
HPGD P15428 3/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.42
IFNAR1 P17181 1/20 0.41
MAP2K7 O14733 1/20 0.41
CDC25A P30304 1/20 0.41
CDC25B P30305 1/20 0.41
LMNA P02545 3/20 0.41
GAA P10253 1/20 0.41
NPY1R P25929 1/20 0.41

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
SCHEMBL14734012 0.82 HSD17B10 (0.53) HSD17B10KMT2AALDH1A1POLBTDP1
SCHEMBL2607777 0.79 IFNAR1 (0.45) ALDH1A1TDP1MAPTIFNAR1LMNA
SCHEMBL6293960 0.79 IFNAR1 (0.43) HSD17B10KMT2AALDH1A1POLBTDP1
SCHEMBL2607673 0.76 TLR8 (0.50) KMT2AALDH1A1HPGDMEN1NPC1
SCHEMBL20571944 0.76 ALDH1A1 (0.44) HSD17B10KMT2AALDH1A1POLBTDP1
SCHEMBL28972030 0.76 IFNAR1 (0.37) KMT2AALDH1A1POLBTDP1HPGD
SCHEMBL2116085 0.76 CYP1A2 (0.54) HSD17B10KMT2AALDH1A1POLBHPGD
SCHEMBL7620846 0.76 KMT2A (0.48) HSD17B10KMT2AALDH1A1POLBTDP1
SCHEMBL1493101 0.76 ALDH1A1 (0.44) HSD17B10KMT2AALDH1A1POLBTDP1
SCHEMBL29137793 0.76 IFNAR1 (0.41) HSD17B10KMT2AALDH1A1POLBTDP1

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 HSD17B10 2357/4885KMT2A 2726/4885ALDH1A1 3676/4885
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B HSD17B10 2357/4885KMT2A 2726/4885ALDH1A1 3676/4885

“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.