SCHEMBL11965076

SCHEMBL11965076

COc1ccc2c(c1)CCc1cc(C)sc1-2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.63
GLA P06280 2/20 0.63
MAPT P10636 4/20 0.62
RAB9A P51151 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
GAA P10253 1/20 0.62
ATM Q13315 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
ADORA1 P30542 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
MPO P05164 1/20 0.45
BCL2 P10415 1/20 0.44
CYP19A1 P11511 4/20 0.43
CYP11B2 P19099 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL17108416 0.78 MPO (0.59) KDM4EGLAMAPTRAB9AL3MBTL1
SCHEMBL11902151 0.78 KDM4E (1.00) KDM4EGLAMAPTRAB9AL3MBTL1
SCHEMBL11965100 0.76 MAPT (0.46) KDM4EGLAMAPTRAB9AL3MBTL1
SCHEMBL14052758 0.76 KDM4E (0.77) KDM4EGLAMAPTRAB9AL3MBTL1
SCHEMBL15869785 0.74 MPO (0.51) KDM4EGLAMAPTRAB9AL3MBTL1
SCHEMBL11965072 0.74 KDM4E (0.56) KDM4EGLAMAPTRAB9AL3MBTL1
SCHEMBL3141978 0.73 MPO (0.54) KDM4EGLAMAPTRAB9AL3MBTL1
SCHEMBL11965104 0.73 CYP1A2 (0.51) KDM4EGLAMAPTRAB9AL3MBTL1
SCHEMBL13963484 0.72 PNMT (0.43) KDM4EMAPTRAB9AL3MBTL1GAA
SCHEMBL16313341 0.72 KDM4E (0.54) KDM4EGLAMAPTRAB9AL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202794-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-08-09 US disclosed
US-20120202794-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-08-09 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-20120202794-A1 COMPOUNDS HAVCR2, MAVS, GOT2 KDM4E 4356/4885GLA 2694/4885MAPT 3932/4885

“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.