SCHEMBL23972306

SCHEMBL23972306

CC(C)(C)c1cccc(C(O)C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
MAPK1 P28482 1/20 0.53
CES2 O00748 1/20 0.47
ACHE P22303 3/20 0.47
RXRA P19793 2/20 0.46
RXRB P28702 2/20 0.46
HDAC4 P56524 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
BCHE P06276 4/20 0.43
BLM P54132 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TSHR P16473 1/20 0.42
BACE1 P56817 3/20 0.41
CTSA P10619 1/20 0.40
F9 P00740 1/20 0.40
NOTUM Q6P988 1/20 0.40

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
SCHEMBL7357616 0.82 PTGS1 (0.56) LMNAMAPK1ACHERXRARXRB
SCHEMBL30213812 0.82 CES2 (0.69) LMNAMAPK1CES2
SCHEMBL5159944 0.82 CES2 (0.69) LMNAMAPK1CES2
SCHEMBL6674012 0.82 CES2 (0.69) LMNAMAPK1CES2
SCHEMBL5159938 0.82 CES2 (0.69) LMNAMAPK1CES2
SCHEMBL29658570 0.82 CES2 (0.69) LMNAMAPK1CES2
SCHEMBL5605125 0.81 LMNA (0.45) LMNAMAPK1RXRARXRBBLM
SCHEMBL16019037 0.81 ACHE (0.46) ACHERXRARXRBHDAC4HDAC2
SCHEMBL28988616 0.81 ACHE (0.46) LMNAMAPK1ACHERXRARXRB
SCHEMBL276569 0.80 LMNA (0.73) LMNAMAPK1CES2BLMNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 US disclosed
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 US disclosed
WO-2021221169-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2021-11-04 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-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS TRPV4, TRPV1, TRPV2 LMNA 4199/4885MAPK1 1813/4885CES2 4819/4885

“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.