SCHEMBL21363009

SCHEMBL21363009

CC(C)c1ccc(O)c(C/C=C/CC(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNASEH1 O60930 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41
TYR P14679 2/20 0.41
GAA P10253 4/20 0.40
HTT P42858 3/20 0.40
ALOX12 P18054 1/20 0.40
HIF1A Q16665 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
TRPA1 O75762 1/20 0.38
PTGS1 P23219 1/20 0.38
CACNA1C Q13936 1/20 0.38
PKM P14618 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL25906366 0.88 RNASEH1 (0.41) RNASEH1HSP90AA1HSP90AB1ALDH1A1LMNA
SCHEMBL22889057 0.86 SMN1; SMN2 (0.43) RNASEH1HSP90AA1HSP90AB1ALDH1A1LMNA
SCHEMBL21363227 0.85 AKR1B10 (0.47) RNASEH1HSP90AA1HSP90AB1ALDH1A1LMNA
SCHEMBL21363014 0.81 RNASEH1 (0.42) RNASEH1HSP90AA1HSP90AB1ALDH1A1LMNA
SCHEMBL21363209 0.80 AMY1A (0.45) ALDH1A1LMNAGAAHTTSMN1; SMN2
SCHEMBL25906284 0.80 HSP90AA1 (0.43) RNASEH1HSP90AA1HSP90AB1ALDH1A1LMNA
SCHEMBL9816379 0.74 GABRA1 (0.59) RNASEH1HSP90AA1HSP90AB1ALDH1A1LMNA
SCHEMBL21335342 0.73 HSP90AA1 (0.44) RNASEH1HSP90AA1HSP90AB1ALDH1A1LMNA
SCHEMBL5167176 0.73 RNASEH1 (0.55) RNASEH1HSP90AA1HSP90AB1ALDH1A1LMNA
SCHEMBL16710353 0.73 HTT (0.57) RNASEH1ALDH1A1LMNATSHRTYR

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-11713335-B2 Aminocoumarin compounds and methods of their use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-08-01 US disclosed
US-11713335-B2 Aminocoumarin compounds and methods of their use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-08-01 US disclosed
US-20210009621-A1 AMINOCOUMARIN COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2021-01-14 US disclosed
WO-2019178119-A1 AMINOCOUMARIN COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-09-19 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 (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-20210009621-A1 AMINOCOUMARIN COMPOUNDS AND METHODS OF THEIR USE AAAS, PROC, AADAC RNASEH1 2502/4885HSP90AA1 1344/4885HSP90AB1 1341/4885
US-11713335-B2 Aminocoumarin compounds and methods of their use AAAS, PROC, AADAC RNASEH1 2502/4885HSP90AA1 1344/4885HSP90AB1 1341/4885

“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.