SCHEMBL2678765

SCHEMBL2678765

N#CC(=Cc1ccc(O)c(O)c1)C(=O)c1ccc(O)c(O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 1.00
ERBB2 P04626 10/20 1.00
KDM4E B2RXH2 6/20 1.00
MEN1 O00255 6/20 1.00
ALDH1A1 P00352 6/20 1.00
KMT2A Q03164 6/20 1.00
MAPT P10636 5/20 1.00
HPGD P15428 5/20 1.00
CYP1A2 P05177 4/20 1.00
HSD17B10 Q99714 4/20 1.00
TDP1 Q9NUW8 4/20 1.00
RECQL P46063 4/20 1.00
BLM P54132 4/20 1.00
TP53 P04637 3/20 1.00
RGS12 O14924 3/20 1.00
POLB P06746 3/20 1.00
CYP3A4 P08684 3/20 1.00
ALOX15 P16050 3/20 1.00
ALOX12 P18054 3/20 1.00
APEX1 P27695 3/20 1.00

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
SCHEMBL2678764 1.00 EGFR (1.00) EGFRERBB2KDM4EMEN1ALDH1A1
SCHEMBL29429711 1.00 EGFR (1.00) EGFRERBB2KDM4EMEN1ALDH1A1
SCHEMBL2678762 1.00 EGFR (1.00) EGFRERBB2KDM4EMEN1ALDH1A1
SCHEMBL15075269 0.91 EGFR (0.83) EGFRERBB2KDM4EMEN1ALDH1A1
SCHEMBL6045468 0.91 EGFR (0.83) EGFRERBB2KDM4EMEN1ALDH1A1
SCHEMBL29378337 0.90 EGFR (0.82) EGFRERBB2KDM4EMEN1ALDH1A1
SCHEMBL18292349 0.88 EGFR (1.00) EGFRERBB2KDM4EMEN1ALDH1A1
SCHEMBL31060696 0.88 EGFR (1.00) EGFRERBB2KDM4EMEN1ALDH1A1
SCHEMBL6213665 0.84 EGFR (0.70) EGFRERBB2KDM4EMEN1ALDH1A1
SCHEMBL6213656 0.84 EGFR (0.70) EGFRERBB2KDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180340937-A1 Phosphoinositide (4,5) Bisphosphate as a Diagnostic Tool and Target for Cancer Treatment JANETOPOULOS CHRISTOPHER (US) 2018-11-29 US disclosed
US-20160266129-A1 Phosphoinositide (4,5) Bisphosphate as a Diagnostic Tool and Target for Cancer Treatment JANETOPOULOS CHRISTOPHER (US) 2016-09-15 US disclosed
US-8175860-B2 Method of inhibiting the growth of Helicobacter pylori NATIONAL TSING HUA UNIVERSITY (TW) 2012-05-08 US disclosed
US-20100305152-A1 METHOD OF INHIBITING THE GROWTH OF HELICOBACTER PYLORI NATIONAL TSING HUA UNIVERSITY (TW) 2010-12-02 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-20100305152-A1 METHOD OF INHIBITING THE GROWTH OF HELICOBACTER PYLORI HPD, HAAO, HK1 EGFR 1420/4885ERBB2 704/4885KDM4E 1971/4885

“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.