SCHEMBL9071981

SCHEMBL9071981

COc1ccccc1-c1cc(O)n[nH]1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.69
ALDH1A1 P00352 4/20 0.60
KDM4E B2RXH2 4/20 0.60
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
RAB9A P51151 4/20 0.52
MAPT P10636 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 3/20 0.52
NFKB1 P19838 3/20 0.52
NFKB2 Q00653 3/20 0.52
RELA Q04206 3/20 0.52
ALOX15 P16050 2/20 0.52
ALOX12 P18054 2/20 0.52
MAPK1 P28482 2/20 0.52
POLB P06746 1/20 0.52
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 1/20 0.48
CCNB2 O95067 1/20 0.48

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
SCHEMBL12767815 0.85 HSD17B10 (0.51) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL29930951 0.83 HSD17B10 (0.60) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL71938 0.83 HSD17B10 (0.60) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL13929106 0.83 HSD17B10 (0.69) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1528407 0.83 HSD17B10 (0.69) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL23611724 0.81 HSD17B10 (1.00) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL29930877 0.81 HSD17B10 (1.00) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1528616 0.81 HSD17B10 (0.61) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1528399 0.81 HSD17B10 (0.61) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL17280016 0.80 HSD17B10 (0.65) HSD17B10ALDH1A1KDM4EMEN1KMT2A

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
US-20110070297-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2011-03-24 US disclosed
US-20110070297-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2011-03-24 US disclosed
US-20070197532-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-08-23 US disclosed
US-20070197532-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-08-23 US disclosed
WO-2007061923-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2007-05-31 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-20070197532-A1 GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 HSD17B10 1143/4885ALDH1A1 1527/4885KDM4E 2963/4885
US-20110070297-A1 GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 HSD17B10 1143/4885ALDH1A1 1527/4885KDM4E 2963/4885

“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.