SCHEMBL9980262

SCHEMBL9980262

CCC(C)[C@@H]1C[C@H](c2ccco2)CN1CC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
POLB P06746 4/20 0.36
MAPT P10636 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
RECQL P46063 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CHRM2 P08172 4/20 0.33
CHRM4 P08173 4/20 0.33
CHRM5 P08912 4/20 0.33
CHRM1 P11229 4/20 0.33
CHRM3 P20309 4/20 0.33
ADORA2B P29275 3/20 0.32
ALOX5 P09917 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
SCHEMBL2756809 0.85 CHRM2 (0.39) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL13465080 0.73 CHRM5 (0.43) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL13465081 0.73 CHRM5 (0.43) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL2706043 0.71 POLB (0.38) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL14985347 0.64 CHRM5 (0.46) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL15500328 0.64 CHRM5 (0.46) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL13381301 0.64 POLB (0.43) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL13071161 0.63 POLB (0.41) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL13381199 0.62 POLB (0.47) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL21402172 0.60

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-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 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-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3957/4885POLB 57/4885MAPT 2923/4885

“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.