SCHEMBL16118264

SCHEMBL16118264

COc1ccc(N=Cc2ccc(C)o2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
GAA P10253 4/20 0.62
MAPT P10636 6/20 0.62
KMT2A Q03164 5/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
MEN1 O00255 3/20 0.62
MAPK1 P28482 2/20 0.62
KDM4E B2RXH2 2/20 0.62
NPSR1 Q6W5P4 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
THRB P10828 1/20 0.62
ALOX15 P16050 1/20 0.62
TSHR P16473 1/20 0.62
HSD17B10 Q99714 1/20 0.62
S100B P04271 1/20 0.53
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47
PTGS2 P35354 2/20 0.47
PTGS1 P23219 1/20 0.47

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
SCHEMBL16118374 1.00 ALDH1A1 (0.62) ALDH1A1GAAMAPTKMT2AL3MBTL1
SCHEMBL17371004 0.90 ALDH1A1 (0.69) ALDH1A1GAAMAPTKMT2AL3MBTL1
SCHEMBL16101747 0.88 ALDH1A1 (0.77) ALDH1A1GAAMAPTKMT2AL3MBTL1
SCHEMBL16101744 0.88 ALDH1A1 (0.77) ALDH1A1GAAMAPTKMT2AL3MBTL1
SCHEMBL16118256 0.82 KMT2A (0.70) ALDH1A1GAAMAPTKMT2AL3MBTL1
SCHEMBL16118373 0.82 KMT2A (0.70) ALDH1A1GAAMAPTKMT2AL3MBTL1
SCHEMBL14571430 0.82 ALDH1A1 (0.70) ALDH1A1GAAMAPTKMT2AL3MBTL1
SCHEMBL16118330 0.82 ALDH1A1 (0.61) ALDH1A1GAAMAPTKMT2AL3MBTL1
SCHEMBL16118342 0.81 MEN1 (0.50) ALDH1A1GAAMAPTKMT2AL3MBTL1
SCHEMBL13479621 0.79 MAPT (0.66) ALDH1A1GAAMAPTKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556137-B2 Methods for preparing alkylfurans MICROMIDAS, INC. (US) 2017-01-31 US disclosed
US-20150376153-A1 METHODS FOR PREPARING ALKYLFURANS MICROMIDAS, INC. (US) 2015-12-31 US disclosed
WO-2014151100-A1 METHODS FOR PREPARING ALKYLFURANS MICROMIDAS, INC. (US) 2014-09-25 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 (1 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-20150376153-A1 METHODS FOR PREPARING ALKYLFURANS ALKBH5, ALKBH2, ALKBH1 ALDH1A1 92/4885GAA 3216/4885MAPT 4440/4885

“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.