SCHEMBL24401018

SCHEMBL24401018

COC(=O)c1ccc2c(c1)OC(C)(C)O2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
CA12 O43570 3/20 0.49
CA9 Q16790 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA7 P43166 2/20 0.49
CA14 Q9ULX7 2/20 0.49
XDH P47989 1/20 0.49
HPGD P15428 3/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 2/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 4/20 0.44

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
SCHEMBL1012928 0.85 CTNNB1 (0.54) ALOX5CA12CA9CA1CA2
SCHEMBL21674416 0.85 ALOX5 (0.49) ALOX5CA12CA9CA1CA2
SCHEMBL9145751 0.83 RARB (0.64) MAPTKDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL9145742 0.83 RARB (0.64) MAPTKDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL703438 0.82 CA12 (0.53) CA12CA9CA1CA2CA7
SCHEMBL12483561 0.82 ALOX5 (0.44) ALOX5CA12CA9CA1CA2
SCHEMBL3255990 0.80 ALDH1A1 (0.52) ALOX5CA12CA9CA1CA2
SCHEMBL7153475 0.80 KDM4E (0.50) HPGDMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL14898177 0.80 CA12 (0.45) ALOX5CA12CA9CA1CA2
SCHEMBL14898188 0.80 CA12 (0.46) ALOX5CA12CA9CA1CA2

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
WO-2023165438-A1 TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 浙江海正药业股份有限公司 2023-09-07 WO disclosed
US-20220135539-A1 BIARYL AMIDE COMPOUNDS, PREPARATION METHODS AND MEDICAL APPLICATIONS THEREOF Eternity Bioscience Inc. 2022-05-05 US disclosed
US-20220135539-A1 BIARYL AMIDE COMPOUNDS, PREPARATION METHODS AND MEDICAL APPLICATIONS THEREOF Eternity Bioscience Inc. 2022-05-05 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-20220135539-A1 BIARYL AMIDE COMPOUNDS, PREPARATION METHODS AND MEDICAL APPLICATIONS THEREOF BRAF, NRAS, RAF1 ALOX5 3435/4885CA12 4569/4885CA9 3827/4885

“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.