SCHEMBL16029993

SCHEMBL16029993

[CH2]c1cccc(-c2ccco2)c1-c1ccco1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.39
TDP1 Q9NUW8 4/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 3/20 0.39
ALOX15 P16050 3/20 0.39
KMT2A Q03164 3/20 0.39
HSD17B10 Q99714 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
PKM P14618 2/20 0.39
CASP1 P29466 2/20 0.39
PTPN7 P35236 2/20 0.39
RECQL P46063 2/20 0.39
BLM P54132 2/20 0.39
CASP7 P55210 2/20 0.39
LMNA P02545 2/20 0.39
USP2 O75604 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL2459563 0.81 KDM4E (0.43) POLBTDP1KDM4EMEN1ALDH1A1
SCHEMBL11070786 0.78 ALDH1A1 (0.38) POLBTDP1KDM4EMEN1ALDH1A1
SCHEMBL1579333 0.78 POLB (0.40) POLBTDP1KDM4EMEN1ALDH1A1
SCHEMBL28049583 0.74 ALDH1A1 (0.39) POLBTDP1KDM4EMEN1ALDH1A1
SCHEMBL26259566 0.73 POLB (0.48) POLBTDP1KDM4EMEN1ALDH1A1
SCHEMBL23611339 0.71 ALOX15 (0.43) POLBTDP1KDM4EMEN1ALDH1A1
SCHEMBL26259720 0.68 ALDH1A1 (0.54) POLBTDP1KDM4EMEN1ALDH1A1
SCHEMBL3702192 0.68 KDM4E (0.43) POLBTDP1KDM4EMEN1ALDH1A1
SCHEMBL26259582 0.67 BRD4 (0.37) POLBTDP1KDM4EMEN1ALDH1A1
SCHEMBL1799678 0.67 ALDH1A1 (0.63) POLBTDP1KDM4EMEN1ALDH1A1

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-9085590-B2 Protecting groups for boronic acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2015-07-21 US disclosed
WO-2014153041-A1 PROTECTING GROUPS FOR BORONIC ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-09-25 WO disclosed
US-20140275601-A1 PROTECTING GROUPS FOR BORONIC ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-09-18 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-20140275601-A1 PROTECTING GROUPS FOR BORONIC ACIDS BRS3, CD79B, NR0B2 POLB 1924/4885TDP1 1365/4885KDM4E 1613/4885

“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.