SCHEMBL20767121

SCHEMBL20767121

CC(C)(O)COc1ccc(CO)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.49
PPARG P37231 1/20 0.49
LTA4H P09960 1/20 0.44
HRH3 Q9Y5N1 2/20 0.40
CYSLTR1 Q9Y271 1/20 0.38
BRD4 O60885 1/20 0.38
CCL2 P13500 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGER4 P35408 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP3A4 P08684 1/20 0.36
APP P05067 1/20 0.36
NR4A2 P43354 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
ELANE P08246 1/20 0.35
TSHR P16473 1/20 0.34
NQO1 P15559 1/20 0.34

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
SCHEMBL5949918 0.87 NQO1 (0.43) LTA4HHRH3BRD4CCL2SMN1; SMN2
SCHEMBL13498433 0.84 RXRA (0.46) KMT2ASMN1; SMN2RXRARXRBNQO1
SCHEMBL20049402 0.81 LTA4H (0.48) PPARAPPARGLTA4HHRH3CYSLTR1
SCHEMBL27037700 0.79 LTA4H (0.50) LTA4HMEN1KMT2AAPP
SCHEMBL12527284 0.79 WDR5 (0.47) PPARABRD4CCL2TSHR
SCHEMBL5728700 0.78 PPARA (0.51) PPARAPPARGLTA4HMEN1KMT2A
SCHEMBL3939416 0.78 PLA2G4B (0.49) SMN1; SMN2RXRARXRBTSHR
SCHEMBL14331359 0.78 LTA4H (0.45) PPARAPPARGLTA4HHRH3CYSLTR1
SCHEMBL10636671 0.78 MEN1 (0.45) PPARAMEN1KMT2ACYP3A4APP
SCHEMBL20766490 0.78 BRD4 (0.38) LTA4HHRH3BRD4CCL2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11440884-B2 Compounds, salts thereof and methods for treatment of diseases ACADIA PHARMACEUTICALS INC. (US) 2022-09-13 US disclosed
US-20210122713-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2021-04-29 US disclosed
US-20210122713-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2021-04-29 US disclosed
EP-3672960-A2 COMPOUNDS, SALTS THEREOF AND THEIR USE FOR THE TREATMENT OF DISEASES Acadia Pharmaceuticals Inc. (US) 2020-07-01 EP disclosed
WO-2019040104-A2 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2019-02-28 WO disclosed
WO-2019040104-A2 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2019-02-28 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-11440884-B2 Compounds, salts thereof and methods for treatment of diseases SLC10A1, VHL, CYP11B2 PPARA 423/4885PPARG 275/4885LTA4H 980/4885
US-20210122713-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES SLC10A1, VHL, CYP11B2 PPARA 423/4885PPARG 275/4885LTA4H 980/4885

“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.