SCHEMBL9891492

SCHEMBL9891492

CCc1sc(C(C)(C)C)nc1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
MAPT P10636 2/20 0.61
HSD17B10 Q99714 2/20 0.51
AR P10275 1/20 0.49
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
PTGDR2 Q9Y5Y4 2/20 0.44
GLA P06280 1/20 0.44
ADAMTS5 Q9UNA0 1/20 0.43
ATP4A P20648 2/20 0.41
ATP4B P51164 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CDC25B P30305 1/20 0.40
DUSP3 P51452 1/20 0.40
RORC P51449 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP1B1 Q16678 1/20 0.40

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
SCHEMBL15728783 0.87 ALDH1A1 (0.58) ALDH1A1MAPTHSD17B10ARHPGD
SCHEMBL19625357 0.84 HTT (0.49) ALDH1A1MAPTHSD17B10HPGDPTGDR2
SCHEMBL19625521 0.80 ALDH1A1 (0.40) ALDH1A1MAPTHSD17B10ARHPGD
SCHEMBL19625436 0.78 ALDH1A1 (0.39) ALDH1A1MAPTHSD17B10ARPTGDR2
SCHEMBL11466220 0.77 ALDH1A1 (0.67) ALDH1A1MAPTHSD17B10HPGDPTGDR2
SCHEMBL15706253 0.77 MAOA (0.46) ALDH1A1MAPTHSD17B10ARCYP1A2
SCHEMBL3767221 0.77 ALDH1A1 (0.67) ALDH1A1MAPTHSD17B10ARHPGD
SCHEMBL13002963 0.77 ALDH1A1 (0.67) ALDH1A1MAPTHSD17B10ARHPGD
SCHEMBL20794246 0.77 PTGS2 (0.55) ALDH1A1MAPTNPSR1CYP1A2
SCHEMBL21555625 0.77 ALDH1A1 (0.37) ALDH1A1MAPTHSD17B10HPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10472360-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-11-12 US disclosed
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 US disclosed
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 US disclosed
US-8383615-B2 Azetidine 2-carboxamide derivatives which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-26 US disclosed
US-8383615-B2 Azetidine 2-carboxamide derivatives which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-26 US disclosed
US-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 ALDH1A1 1166/4885MAPT 4783/4885HSD17B10 2524/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 ALDH1A1 1166/4885MAPT 4783/4885HSD17B10 2524/4885
US-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 ALDH1A1 1724/4885MAPT 4331/4885HSD17B10 3696/4885

“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.