SCHEMBL12648698

SCHEMBL12648698

CC(C)(C)c1cc(C=C(N)N)cc(C(C)(C)C)c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.60
MAPT P10636 4/20 0.60
MEN1 O00255 3/20 0.60
CYP3A4 P08684 3/20 0.60
TSHR P16473 3/20 0.60
BLM P54132 3/20 0.60
KMT2A Q03164 3/20 0.60
HSD17B10 Q99714 3/20 0.60
ALDH1A1 P00352 3/20 0.60
CYP1A2 P05177 3/20 0.60
CYP2C9 P11712 3/20 0.60
ALOX15 P16050 3/20 0.60
RGS12 O14924 2/20 0.60
GMNN O75496 2/20 0.60
LMNA P02545 2/20 0.60
HPGD P15428 2/20 0.60
NFKB1 P19838 2/20 0.60
CYP2C19 P33261 2/20 0.60
THPO P40225 2/20 0.60
MTOR P42345 2/20 0.60

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
SCHEMBL7175613 0.81 SMN1; SMN2 (0.61) SMN1; SMN2MAPTMEN1CYP3A4TSHR
SCHEMBL11141872 0.80 HTT (0.61) SMN1; SMN2MAPTMEN1CYP3A4TSHR
SCHEMBL28419449 0.80 EGFR (0.63) SMN1; SMN2MAPTMEN1CYP3A4TSHR
SCHEMBL14472045 0.78 HTT (0.63) SMN1; SMN2MAPTMEN1CYP3A4TSHR
SCHEMBL1821479 0.78 PTGS1 (0.74) SMN1; SMN2MAPTMEN1CYP3A4TSHR
SCHEMBL1821480 0.78 PTGS1 (0.74) SMN1; SMN2MAPTMEN1CYP3A4TSHR
SCHEMBL13073158 0.77 GABBR2 (0.63) SMN1; SMN2MAPTMEN1CYP3A4TSHR
Tyrphostin Ag 879 SCHEMBL607701 0.76 MAPT (1.00) SMN1; SMN2MAPTMEN1CYP3A4TSHR
Tyrphostin Ag 879 SCHEMBL607702 0.76 MAPT (1.00) SMN1; SMN2MAPTMEN1CYP3A4TSHR
Tyrphostin Ag 879 SCHEMBL607703 0.76 MAPT (1.00) SMN1; SMN2MAPTMEN1CYP3A4TSHR

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-20110118136-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions KOESTER HUBERT 2011-05-19 US disclosed
US-20100248264-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-09-30 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-20110118136-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PTMS, QPCTL, SRMS SMN1; SMN2 4623/4885MAPT 3419/4885MEN1 3426/4885

“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.