SCHEMBL22019701

SCHEMBL22019701

Cc1sc(C(C)(C)C)cc1C(C)(C)O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
ATP2A2 P16615 1/20 0.36
ATP2A3 Q93084 1/20 0.36
CA2 P00918 1/20 0.32
POLB P06746 1/20 0.32
TYR P14679 1/20 0.32
ERCC5 P28715 1/20 0.31
FEN1 P39748 1/20 0.31

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
SCHEMBL26321651 0.84 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KDM4ECYP1A2MAPT
SCHEMBL24805361 0.80 KDM4E (0.31) ALDH1A1SMN1; SMN2KDM4ECYP1A2MAPT
SCHEMBL20943689 0.73 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KDM4ECYP1A2MAPT
SCHEMBL10123652 0.72 KDM4E (0.38) ALDH1A1SMN1; SMN2KDM4ECYP1A2MAPT
SCHEMBL8543343 0.71 KDM4E (0.31) ALDH1A1SMN1; SMN2KDM4ECYP1A2MAPT
SCHEMBL22020756 0.69
SCHEMBL21721334 0.68 PDPK1 (0.31)
SCHEMBL14159654 0.68 POLB (0.34) ALDH1A1KDM4EMAPTPOLB
SCHEMBL17342288 0.68 PRKDC (0.33)
SCHEMBL20844037 0.68 MRGPRX1 (0.33)

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-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-02 US disclosed
WO-2020102096-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 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-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 ALDH1A1 1972/4885SMN1; SMN2 2608/4885KDM4E 4525/4885

“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.