SCHEMBL15134160

SCHEMBL15134160

CCOc1ccc(C(C)C)c(Cl)c1NC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
TSHR P16473 3/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
RORC P51449 1/20 0.35
POLB P06746 2/20 0.34
MAPT P10636 5/20 0.33
KDM4E B2RXH2 2/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.33
HPGD P15428 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPK1 P28482 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RAB9A P51151 3/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL15012820 0.81 ALOX15 (0.34) ALDH1A1TSHRPOLBMAPTKDM4E
SCHEMBL15134175 0.77 MAPT (0.37) ALDH1A1TSHRCYP1A2CYP2D6RORC
SCHEMBL12356906 0.68 TSHR (0.46) ALDH1A1TSHRCYP1A2CYP2D6MAPT
SCHEMBL11890402 0.68 GAA (0.52) ALDH1A1TSHRCYP1A2CYP2D6POLB
SCHEMBL8517872 0.68 RORC (0.39) ALDH1A1TSHRRORCPOLBMAPT
SCHEMBL8519351 0.68 SRC (0.39) ALDH1A1RORCPOLBMAPTKDM4E
SCHEMBL17083352 0.67 L3MBTL1 (0.39) ALDH1A1TSHRCYP1A2CYP2D6POLB
SCHEMBL15012757 0.67 ALDH1A1 (0.41) ALDH1A1TSHRMAPTKDM4EGAA
SCHEMBL27317473 0.66 GABRA1 (0.42) ALDH1A1TSHRCYP1A2CYP2D6HPGD
SCHEMBL14088917 0.66 ALDH1A1 (0.46) ALDH1A1TSHRPOLBMAPTKDM4E

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 3557/4885TSHR 2846/4885CYP1A2 2761/4885

“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.