SCHEMBL23869744

SCHEMBL23869744

COc1ccc(CC(C)(C)c2ccccc2O)cc1C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
TP53 P04637 2/20 0.44
CYP3A4 P08684 2/20 0.44
ALOX15 P16050 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
NR3C1 P04150 10/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CYP1A2 P05177 1/20 0.37
NFKB1 P19838 1/20 0.37
ALOX12 P18054 1/20 0.37
ERBB2 P04626 1/20 0.37
CETP P11597 1/20 0.36
NR3C2 P08235 2/20 0.36

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
SCHEMBL18672381 0.89 ALDH1A1 (0.47) ALDH1A1GAATSHRTDP1TP53
SCHEMBL25001119 0.79 NR3C1 (0.40) NR3C1NR3C2
SCHEMBL25001131 0.76 NR3C1 (0.40) NR3C1NR3C2
SCHEMBL25143134 0.75 ALDH1A1 (0.46) ALDH1A1GAATSHRTDP1TP53
SCHEMBL17404498 0.74 NR3C1 (0.42) ALDH1A1GAATP53CYP3A4ALOX15
SCHEMBL19171045 0.74 ALDH1A1 (0.43) ALDH1A1GAACYP3A4NR3C1NR3C2
SCHEMBL10204755 0.74 CYP3A4 (0.47) ALDH1A1GAATSHRTP53CYP3A4
SCHEMBL18471060 0.73 ALDH1A1 (0.51) ALDH1A1GAATSHRTDP1ALOX15
SCHEMBL9885330 0.72 GABRA1 (0.46) ALDH1A1GAATSHRTP53CYP3A4
SCHEMBL20802199 0.72 NR3C1 (0.42) NR3C1NR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210299095-A1 METHOD OF MODULATING RIBONUCLEOTIDE REDUCTASE CASE WESTERN RESERVE UNIVERSITY 2021-09-30 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-20210299095-A1 METHOD OF MODULATING RIBONUCLEOTIDE REDUCTASE RRM2, RRM2B, RRM1 ALDH1A1 627/4885GAA 1997/4885TSHR 854/4885

“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.