SCHEMBL15134162

SCHEMBL15134162

CCOc1ccc(C(C)C)c(F)c1C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.36
TSHR P16473 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
KDM4E B2RXH2 2/20 0.34
KDM1A O60341 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPK1 P28482 1/20 0.34
ALPL P05186 1/20 0.33

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
SCHEMBL17083352 0.86 L3MBTL1 (0.39) ALDH1A1NPSR1MAPTL3MBTL1TSHR
SCHEMBL15012757 0.82 ALDH1A1 (0.41) ALDH1A1NPSR1MAPTL3MBTL1TSHR
SCHEMBL16342291 0.79 RXRA (0.32) MAPTCYP1A2CYP2C19
SCHEMBL13696494 0.79 L3MBTL1 (0.43) ALDH1A1NPSR1MAPTL3MBTL1CYP1A2
SCHEMBL15134175 0.78 MAPT (0.37) ALDH1A1NPSR1MAPTL3MBTL1TSHR
SCHEMBL19890544 0.76 L3MBTL1 (0.41) ALDH1A1NPSR1MAPTL3MBTL1TSHR
SCHEMBL27420665 0.76 ALDH1A1 (0.47) ALDH1A1NPSR1MAPTL3MBTL1TSHR
SCHEMBL24319896 0.75 LMNA (0.38) TSHRCYP1A2
SCHEMBL17527769 0.75 L3MBTL1 (0.48) ALDH1A1NPSR1MAPTL3MBTL1TSHR
SCHEMBL14964461 0.73 EIF4A3 (0.35)

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-20130190491-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2013-07-25 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-20130190491-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 ALDH1A1 3557/4885NPSR1 3581/4885MAPT 3573/4885

“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.