SCHEMBL21363014

SCHEMBL21363014

CC(=O)/C=C/Cc1cc(C(C)C)ccc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNASEH1 O60930 1/20 0.42
HSP90AA1 P07900 2/20 0.42
HSP90AB1 P08238 2/20 0.42
TYR P14679 2/20 0.41
HTT P42858 4/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
ALOX12 P18054 1/20 0.41
HIF1A Q16665 1/20 0.41
AKR1B10 O60218 1/20 0.40
AKR1B1 P15121 1/20 0.40
AKR1C3 P42330 1/20 0.40
LMNA P02545 3/20 0.39
TSHR P16473 1/20 0.39
PTGS1 P23219 2/20 0.39
TRPA1 O75762 1/20 0.39
CACNA1C Q13936 1/20 0.39
HPGD P15428 1/20 0.38
IAPP P10997 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL21363227 0.89 AKR1B10 (0.47) RNASEH1HSP90AA1HSP90AB1TYRHTT
SCHEMBL25906366 0.84 RNASEH1 (0.41) RNASEH1HSP90AA1HSP90AB1TYRHTT
SCHEMBL25906284 0.81 HSP90AA1 (0.43) RNASEH1HSP90AA1HSP90AB1TYRHTT
SCHEMBL21363009 0.81 RNASEH1 (0.41) RNASEH1HSP90AA1HSP90AB1TYRHTT
SCHEMBL21363225 0.80 AMY1A (0.46) HTTALDH1A1GAAAKR1B10AKR1B1
SCHEMBL22889057 0.78 SMN1; SMN2 (0.43) RNASEH1HSP90AA1HSP90AB1TYRHTT
SCHEMBL16710353 0.78 HTT (0.57) RNASEH1TYRHTTALDH1A1GAA
SCHEMBL22889056 0.77 TRPA1 (0.46) HSP90AA1HSP90AB1HTTALDH1A1GAA
SCHEMBL21363203 0.76 MCL1 (0.45) HTTALDH1A1AKR1B10AKR1B1AKR1C3
SCHEMBL9816379 0.76 GABRA1 (0.59) RNASEH1HSP90AA1HSP90AB1TYRHTT

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.