SCHEMBL21100859

SCHEMBL21100859

CCc1ccc(CCO)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ALOX5 P09917 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
CYP4F2 P78329 4/20 0.44
CYP4A11 Q02928 4/20 0.44
CA2 P00918 2/20 0.40
SKP2 Q13309 1/20 0.39
BCHE P06276 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37

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
SCHEMBL12226954 0.84 TRPA1 (0.42) BACE1KDM4EALDH1A1ALOX5GAA
SCHEMBL11312772 0.84 BACE1 (0.46) BACE1KDM4EALDH1A1ALOX5GAA
SCHEMBL8750442 0.83 EGFR (0.41) BACE1ALOX5CYP4F2CYP4A11CA2
SCHEMBL2399831 0.83 CYP4F2 (0.41) BACE1KDM4EALDH1A1ALOX5GAA
SCHEMBL4279450 0.81 TRPA1 (0.44) ALDH1A1ALOX5MAPTCA2SKP2
SCHEMBL18571056 0.80 BACE1 (0.59) BACE1KDM4EALDH1A1MAPTSKP2
SCHEMBL19314032 0.80 SKP2 (0.61) KDM4EALDH1A1MAPTCA2SKP2
SCHEMBL6301819 0.79 ALDH1A1 (0.52) BACE1KDM4EALDH1A1ALOX5GAA
SCHEMBL23954004 0.77 HRH3 (0.48) ALDH1A1MAPT
SCHEMBL18570898 0.77 SKP2 (0.49) BACE1SKP2

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
US-10745356-B2 Compositions and methods for treating tuberculosis THE BROAD INSTITUTE, INC. (US) 2020-08-18 US disclosed
US-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS THE BROAD INSTITUTE, INC. 2019-09-19 US disclosed
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 (3 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-10745356-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT BACE1 1506/4885KDM4E 3217/4885ALDH1A1 1848/4885
US-10329257-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT BACE1 1506/4885KDM4E 3217/4885ALDH1A1 1848/4885
US-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS C5, IFNG, TERT BACE1 1506/4885KDM4E 3217/4885ALDH1A1 1848/4885

“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.