SCHEMBL22750705

SCHEMBL22750705

O=C(O)c1ccccc1C#Cc1c(O)ccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.49
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49
WDR5 P61964 1/20 0.46
PTPN1 P18031 1/20 0.45
CDC25B P30305 3/20 0.44
ACMSD Q8TDX5 2/20 0.43
MCL1 Q07820 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ERN1 O75460 1/20 0.41
LMNA P02545 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 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
SCHEMBL28797628 0.81 PTPN22 (0.47) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL3130959 0.81 NR4A1 (0.63) LDHANR4A1NR4A2NR4A3WDR5
SCHEMBL3130205 0.78 NR4A1 (0.59) LDHANR4A1NR4A2NR4A3WDR5
SCHEMBL31472706 0.77 PTPN22 (0.43) ALDH1A1KDM4EGAAHSD17B10ERN1
SCHEMBL28797621 0.77 MAPT (0.44) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL29409566 0.77 ALDH1A1 (0.62) NR4A1NR4A2NR4A3CDC25BALDH1A1
SCHEMBL69321 0.77 ALDH1A1 (0.62) NR4A1NR4A2NR4A3CDC25BALDH1A1
SCHEMBL28624944 0.76 PTPN22 (0.48) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL17616900 0.72 ALOX5 (0.45) ACMSDMCL1ALDH1A1KDM4EGAA
Phenanthrene SCHEMBL31651179 0.71 NR4A1 (0.75) LDHANR4A1NR4A2NR4A3WDR5

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-20220304958-A1 SMALL MOLECULE INHIBITORS OF A PROTEIN COMPLEX THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-09-29 US disclosed
WO-2020247608-A1 SMALL MOLECULE INHIBITORS OF A PROTEIN COMPLEX THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-12-10 WO 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-20220304958-A1 SMALL MOLECULE INHIBITORS OF A PROTEIN COMPLEX SERBP1, PPHLN1, VCAM1 LDHA 4482/4885NR4A1 2806/4885NR4A2 2131/4885

“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.