SCHEMBL10175722

SCHEMBL10175722

CO/C(O)=C/C(=O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.39
RAB9A P51151 2/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 2/20 0.35
TSHR P16473 1/20 0.35
HCAR2 Q8TDS4 2/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DGAT1 O75907 1/20 0.30

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
SCHEMBL25142325 0.78 MAPT (0.38) MAPK1HCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL6739701 0.76 MAPK1 (0.37) MAPK1RAB9AHSD17B10NPC1TSHR
SCHEMBL6739700 0.76 MAPK1 (0.37) MAPK1RAB9AHSD17B10NPC1TSHR
SCHEMBL12591117 0.75 HSD17B10 (0.39) MAPK1RAB9AHSD17B10NPC1TSHR
SCHEMBL12591113 0.75 MAPK1 (0.39) MAPK1RAB9AHSD17B10NPC1TSHR
SCHEMBL11478809 0.73 MAPK1 (0.46) MAPK1RAB9AHSD17B10NPC1TSHR
SCHEMBL11478805 0.73 MAPK1 (0.46) MAPK1RAB9AHSD17B10NPC1TSHR
SCHEMBL14440714 0.71 DGAT1 (0.41) HCAR2KEAP1NFE2L2KMT2AMEN1
SCHEMBL15096679 0.70
SCHEMBL13725734 0.70 TSHR (0.38) MAPK1RAB9AHSD17B10NPC1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067928-B2 Compounds and methods of use ABBVIE INC. (US) 2015-06-30 US disclosed
US-8518970-B2 Compounds and methods of use ABBVIE INC. (US) 2013-08-27 US disclosed
US-8232273-B2 Heterocyclic compounds and methods of use GENENTECH, INC. (US) 2012-07-31 US disclosed
US-20120184541-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2012-07-19 US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 US disclosed
US-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-08-19 US disclosed
US-20100190782-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-07-29 US 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 (3 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-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE BCL2A1, BAX, BCL2 MAPK1 3160/4885RAB9A 2893/4885HSD17B10 2889/4885
US-20100190782-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX MAPK1 3552/4885RAB9A 3166/4885HSD17B10 2856/4885
US-20120184541-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX MAPK1 3552/4885RAB9A 3166/4885HSD17B10 2856/4885

“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.