SCHEMBL11965100

SCHEMBL11965100

COc1ccc2c(c1)OCc1cc(C)sc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.46
KDM4E B2RXH2 7/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
KMT2A Q03164 3/20 0.45
CYP3A4 P08684 3/20 0.45
MEN1 O00255 2/20 0.45
USP2 O75604 1/20 0.45
ALOX15 P16050 1/20 0.45
POLB P06746 2/20 0.44
ALDH1A1 P00352 4/20 0.44
RAB9A P51151 4/20 0.44
GAA P10253 3/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALOX12 P18054 1/20 0.44
GLA P06280 3/20 0.43
MAPK1 P28482 2/20 0.43
ATM Q13315 2/20 0.43
L3MBTL1 Q9Y468 2/20 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
SCHEMBL20597599 0.80 KDM4E (0.65) MAPTKDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL20597320 0.79 MAPT (0.56) MAPTKDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL11965099 0.77 ALDH1A1 (0.60) MAPTKDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL11965076 0.76 KDM4E (0.63) MAPTKDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL20991197 0.71 KDM4E (0.34) MAPTKDM4EALDH1A1RAB9AGAA
SCHEMBL11965098 0.71 KDM4E (0.65) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL6121014 0.71 MAPT (0.47) MAPTKDM4ESMN1; SMN2KMT2ACYP3A4
SCHEMBL9235523 0.70 MAPT (0.50) MAPTKDM4ESMN1; SMN2KMT2ACYP3A4
SCHEMBL13891899 0.70 MAPT (0.52) MAPTKDM4ESMN1; SMN2KMT2ACYP3A4
SCHEMBL68899 0.70 MAPT (0.59) MAPTKDM4ESMN1; SMN2KMT2ACYP3A4

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 MAPT 3932/4885KDM4E 4356/4885SMN1; SMN2 4051/4885

“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.