SCHEMBL17371004

SCHEMBL17371004

COc1ccc(N=Cc2ccc(C=Nc3ccc(OC)cc3)o2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.69
GAA P10253 5/20 0.69
S100B P04271 1/20 0.59
ACHE P22303 2/20 0.51
PTGS2 P35354 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
PTGS1 P23219 1/20 0.51
CA12 O43570 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
CA1 P00915 1/20 0.50
CA7 P43166 1/20 0.50
KMT2A Q03164 6/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
MAPT P10636 5/20 0.47
MEN1 O00255 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
KDM4E B2RXH2 2/20 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
SCHEMBL16118330 0.92 ALDH1A1 (0.61) ALDH1A1GAAS100BACHEPTGS2
SCHEMBL16118374 0.90 ALDH1A1 (0.62) ALDH1A1GAAS100BACHEPTGS2
SCHEMBL16118264 0.90 ALDH1A1 (0.62) ALDH1A1GAAS100BACHEPTGS2
SCHEMBL10412841 0.82 S100B (0.82) ALDH1A1GAAS100BACHEPTGS2
SCHEMBL10733285 0.82 S100B (0.82) ALDH1A1GAAS100BACHEPTGS2
SCHEMBL10733277 0.82 S100B (0.82) ALDH1A1GAAS100BACHEPTGS2
SCHEMBL12416630 0.82 S100B (0.82) ALDH1A1GAAS100BACHEPTGS2
SCHEMBL2010515 0.82 S100B (0.82) ALDH1A1GAAS100BACHEPTGS2
SCHEMBL9003532 0.82 ALDH1A1 (0.63) ALDH1A1GAAPTGS2CA2CA9
N-Furfurylidene-P-Anisidine SCHEMBL7735571 0.79 ALDH1A1 (0.62) ALDH1A1GAAS100BACHEKMT2A

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 2 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

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 3216/4885S100B 4871/4885

“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.