SCHEMBL20169790

SCHEMBL20169790

CCC(C)(C)C(=O)c1ccco1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
PTPN1 P18031 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 4/20 0.44
POLB P06746 3/20 0.44
RECQL P46063 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
THRB P10828 1/20 0.44
APEX1 P27695 1/20 0.44
HDAC3 O15379 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL27894168 0.81 CES2 (0.46) CES2CES1PTPN1MEN1KMT2A
SCHEMBL4620036 0.80 CES2 (0.58) CES2CES1PTPN1MEN1KMT2A
SCHEMBL15120379 0.79 CES2 (0.56) CES2CES1PTPN1MEN1KMT2A
SCHEMBL15045360 0.78 MEN1 (0.50) RIPK1MEN1KMT2AALDH1A1POLB
SCHEMBL16572499 0.76 HDAC4 (0.47) RIPK1POLBHPGDL3MBTL1
SCHEMBL1414713 0.75 NPC1 (0.47) CES2CES1KMT2AALDH1A1TDP1
SCHEMBL27568385 0.74 CES2 (0.50) CES2CES1PTPN1MEN1KMT2A
SCHEMBL27583187 0.74 CES2 (0.55) CES2CES1PTPN1MEN1KMT2A
SCHEMBL574955 0.74
SCHEMBL23801091 0.74 MEN1 (0.60) MEN1KMT2AALDH1A1POLBHDAC3

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-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-02-09 US disclosed
US-9975918-B2 Highly potent glucocorticoids VAN ANDEL RESEARCH INSTITUTE (US) 2018-05-22 US 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-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF CYP2B6, CBR3, CYP2A6 RIPK1 3239/4885CES2 256/4885CES1 490/4885

“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.