SCHEMBL19929264

SCHEMBL19929264

COB(OC)c1ccccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.44
TSHR P16473 4/20 0.44
CA1 P00915 3/20 0.44
TP53 P04637 2/20 0.44
ENPP2 Q13822 1/20 0.41
LMNA P02545 4/20 0.41
ALDH1A1 P00352 4/20 0.41
ALOX15 P16050 3/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CA12 O43570 2/20 0.41
CA14 Q9ULX7 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
NPC1 O15118 2/20 0.41
GMNN O75496 1/20 0.41
EGFR P00533 1/20 0.41
FYN P06241 1/20 0.41

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
SCHEMBL23638942 0.81 ENPP2 (0.46) CA2TSHRCA1TP53ENPP2
SCHEMBL28919831 0.78 ALDH1A1 (0.43) CA2TSHRCA1TP53ENPP2
SCHEMBL29418123 0.74 ALDH1A1 (0.50) CA2TSHRCA1TP53ENPP2
SCHEMBL165536 0.74 ALDH1A1 (0.50) CA2TSHRCA1TP53ENPP2
SCHEMBL911112 0.73 TSHR (0.43) CA2TSHRCA1ENPP2ALDH1A1
SCHEMBL29325811 0.72 ALDH1A1 (0.47) CA2TSHRCA1TP53ENPP2
SCHEMBL29420321 0.72 ALDH1A1 (0.47) CA2TSHRCA1TP53ENPP2
SCHEMBL12424043 0.71 ALDH1A1 (0.44) TSHRENPP2ALDH1A1ALOX15MAPT
SCHEMBL5953252 0.71 ENPP2 (0.64) CA2TSHRCA1TP53ENPP2
SCHEMBL22182310 0.70 ALDH1A1 (0.45) CA2TSHRCA1TP53ENPP2

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-20210214507-A1 BORONIC ACID MONOMERS AND METHODS OF MAKING BORONIC ACID MONOMERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2021-07-15 US disclosed
US-20180065980-A1 CYANATED BENZOXANTHENE AND BENZOTHIOXANTHENE COMPOUNDS BASF SE (DE) 2018-03-08 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 (2 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-20180065980-A1 CYANATED BENZOXANTHENE AND BENZOTHIOXANTHENE COMPOUNDS CBR3, CBR1, NR2E3 CA2 1100/4885TSHR 1449/4885CA1 1670/4885
US-20210214507-A1 BORONIC ACID MONOMERS AND METHODS OF MAKING BORONIC ACID MONOMERS MMAB, ME1, BPGM CA2 227/4885TSHR 4497/4885CA1 455/4885

“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.