SCHEMBL21100838

SCHEMBL21100838

Cc1cc(CCO)ccc1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALOX5 P09917 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
BACE1 P56817 1/20 0.44
CA2 P00918 1/20 0.39
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
TRPA1 O75762 1/20 0.38
LMNA P02545 1/20 0.38
CHRM1 P11229 1/20 0.38
SLC6A2 P23975 1/20 0.38
ADRA1A P35348 1/20 0.38
HTR2B P41595 1/20 0.38
FKBP1A P62942 1/20 0.37
HPGD P15428 1/20 0.36
CARM1 Q86X55 1/20 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
SCHEMBL11981073 0.84 GABRA1 (0.42) ALDH1A1KDM4ETHRATHRBTRPA1
SCHEMBL18844142 0.82 SKP2 (0.43) ALDH1A1KDM4EALOX5THRATHRB
SCHEMBL27299925 0.79 ALDH1A1 (0.42) ALDH1A1KDM4EALOX5GAAMAPT
SCHEMBL11449778 0.78 CYP1A2 (0.43) ALDH1A1KDM4EALOX5MAPTTHRA
SCHEMBL6301819 0.77 ALDH1A1 (0.52) ALDH1A1KDM4EALOX5GAAMAPT
SCHEMBL15424212 0.77 ALDH1A1 (0.36) ALDH1A1KDM4EGAATHRATHRB
SCHEMBL27310969 0.77 MAPT (0.40) ALDH1A1KDM4EALOX5GAAMAPT
SCHEMBL23890877 0.76 ALDH1A1 (0.38) ALDH1A1KDM4EGAATHRATHRB
SCHEMBL17880793 0.76 CSNK2A1 (0.44) ALDH1A1KDM4ETHRATHRBTRPA1
SCHEMBL12305573 0.76 KDM4E (0.42) ALDH1A1KDM4EALOX5GAAMAPT

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-10329257-B2 Compositions and methods for treating tuberculosis THE BROAD INSTITUTE, INC. (US) 2019-06-25 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-10329257-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT ALDH1A1 1848/4885KDM4E 3217/4885ALOX5 426/4885

“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.