SCHEMBL8106610

SCHEMBL8106610

C=CC=C(C(=O)OCC)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.42
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 6/20 0.37
TSHR P16473 2/20 0.37
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2C9 P11712 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
ALOX15 P16050 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32
MAPT P10636 2/20 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
SCHEMBL8093520 1.00 GLO1 (0.42) GLO1NPSR1ALDH1A1TSHRCYP2D6
SCHEMBL13242085 0.84 GLO1 (0.45) GLO1NPSR1ALDH1A1TSHRCYP2D6
SCHEMBL16674850 0.81 GLO1 (0.47) GLO1NPSR1ALDH1A1TSHRCYP2D6
SCHEMBL16160202 0.79 NPSR1 (0.48) GLO1NPSR1ALDH1A1TSHRCYP2D6
SCHEMBL12200406 0.78 NPSR1 (0.42) GLO1NPSR1ALDH1A1TSHRCYP2D6
SCHEMBL17268280 0.78 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL6249795 0.76 NPSR1 (0.41) GLO1NPSR1ALDH1A1TSHRCYP2D6
SCHEMBL10391796 0.75 GLO1 (0.59) GLO1NPSR1ALDH1A1TSHRCYP2D6
SCHEMBL234358 0.74 NPSR1 (0.59) GLO1NPSR1ALDH1A1TSHRCYP2D6
SCHEMBL234359 0.74 NPSR1 (0.59) GLO1NPSR1ALDH1A1TSHRCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184998-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-07-22 US disclosed
CN-101679178-A Process for the synthesis of intermediates of renin inhibitors such as aliskiren NOVARTIS AG 2010-03-24 CN disclosed
WO-2008155338-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-12-24 WO 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-20100184998-A1 ORGANIC COMPOUNDS CYP1B1, CYP3A7, CYP2F1 GLO1 1645/4885NPSR1 2294/4885ALDH1A1 132/4885

“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.