SCHEMBL31047372

SCHEMBL31047372

Cc1cccc(/C=C/c2cccc(B(O)O)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.57
TTR P02766 3/20 0.57
PTGS1 P23219 3/20 0.56
PTGS2 P35354 3/20 0.56
ALOX5 P09917 1/20 0.56
RELA Q04206 1/20 0.54
TP53 P04637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
FBP1 P09467 1/20 0.46
NPC1 O15118 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
NFE2L2 Q16236 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MGLL Q99685 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
SCHEMBL9214261 0.88 ENPP2 (0.69) ENPP2TTRNFE2L2KDM4EALDH1A1
SCHEMBL9214256 0.88 ENPP2 (0.69) ENPP2TTRNFE2L2KDM4EALDH1A1
SCHEMBL24598773 0.82 ENPP2 (0.62) ENPP2TTRRELANFE2L2MAOA
SCHEMBL31047371 0.82 ENPP2 (0.62) ENPP2TTRRELANFE2L2MAOA
SCHEMBL102540 0.82 ENPP2 (0.56) ENPP2KDM4EALDH1A1MGLL
SCHEMBL29398358 0.82 ENPP2 (0.56) ENPP2KDM4EALDH1A1MGLL
SCHEMBL21847980 0.82 PTGS1 (0.69) PTGS1PTGS2ALOX5RELATP53
SCHEMBL1795130 0.82 PTGS1 (0.69) PTGS1PTGS2ALOX5RELATP53
SCHEMBL1795132 0.82 PTGS1 (0.69) PTGS1PTGS2ALOX5RELATP53
SCHEMBL1179749 0.78 RELA (0.74) PTGS1PTGS2ALOX5RELATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240279539-A1 ORGANOMETALLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND ELECTRONIC APPARATUS AND ELECTRONIC DEVICE, EACH INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2024-08-22 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-20240279539-A1 ORGANOMETALLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND ELECTRONIC APPARATUS AND ELECTRONIC DEVICE, EACH INCLUDING THE LIGHT-EMITTING DEVICE RUVBL2, RUVBL1, LIG1 ENPP2 3855/4885TTR 4343/4885PTGS1 2350/4885

“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.