SCHEMBL5518756

SCHEMBL5518756

C=C1Nc2ccc(C(C)C)cc2O1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.33
GFER P55789 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
TRPA1 O75762 1/20 0.32
PTGS1 P23219 1/20 0.32
CACNA1C Q13936 1/20 0.32
KIF11 P52732 2/20 0.32
GAA P10253 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
HIF1A Q16665 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NR1H3 Q13133 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
RNASEH1 O60930 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
SCHEMBL17660596 0.86 LMNA (0.33) HPGDGFERHSD17B10LMNATRPA1
SCHEMBL30811604 0.85 ALOX5 (0.41) HPGDGFERHSD17B10LMNATRPA1
SCHEMBL27344507 0.85 ALOX5 (0.41) HPGDGFERHSD17B10LMNATRPA1
SCHEMBL38657363 0.79 ALOX5 (0.41) HPGDGFERHSD17B10LMNATRPA1
SCHEMBL2705717 0.79 ALOX5 (0.41) HPGDGFERHSD17B10LMNATRPA1
SCHEMBL23775850 0.77 ALDH1A1 (0.37) HPGDGFERHSD17B10LMNATRPA1
SCHEMBL14409950 0.76 MAPT (0.38) HPGDHSD17B10LMNAGAAALDH1A1
SCHEMBL14804032 0.75 KCNH2 (0.35) HPGDGFERHSD17B10KIF11GAA
SCHEMBL2756773 0.73 MMP12 (0.40) HSD17B10LMNATRPA1PTGS1CACNA1C
SCHEMBL14804002 0.72 HPGD (0.38) HPGDGFERHSD17B10LMNAALDH1A1

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-20180208602-A1 NEW BICYCLIC COMPOUNDS AS ATX INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2018-07-26 US disclosed
US-9846160-B2 Ganglioside GD2 as a marker and target on cancer stem cells BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEMS (US) 2017-12-19 US disclosed
US-8841301-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-23 US disclosed
US-8722670-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-13 US disclosed
US-20130085138-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US disclosed
US-20130079338-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-28 US disclosed
US-8173654-B2 Triazolopyridazine compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-08 US disclosed
US-8030305-B2 Triazolopyridazines as kinase modulators JANSSEN PHARMACEUTICA N.V. (BE) 2011-10-04 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-20130079338-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A HPGD 1406/4885GFER 2963/4885HSD17B10 3047/4885
US-20180208602-A1 NEW BICYCLIC COMPOUNDS AS ATX INHIBITORS ATXN2, ATXN10, ATXN2L HPGD 4580/4885GFER 4579/4885HSD17B10 4417/4885
US-20130085138-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A HPGD 1406/4885GFER 2963/4885HSD17B10 3047/4885

“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.