SCHEMBL9968593

SCHEMBL9968593

C=C(C)CC1CCCC(CC(=O)OCC)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.39
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2D6 P10635 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
TP53 P04637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CYP1A2 P05177 1/20 0.33
MIF P14174 1/20 0.33
HSD17B1 P14061 1/20 0.32
TLR4 O00206 1/20 0.32
GSK3A P49840 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
SCHEMBL8243047 0.88 KMT2A (0.41) KMT2APOLBABL1RIN1TDP1
SCHEMBL22273295 0.84 BRD4 (0.40) KMT2AMGAMGAASIMGAM2
SCHEMBL22264486 0.84 BRD4 (0.40) KMT2AMGAMGAASIMGAM2
SCHEMBL8277704 0.83 KMT2A (0.40) KMT2APOLBABL1RIN1TDP1
SCHEMBL27684837 0.81 KMT2A (0.38) KMT2APOLBABL1RIN1TDP1
SCHEMBL3587342 0.79 TP53 (0.51) KMT2ATP53L3MBTL1ALDH1A1TSHR
SCHEMBL3967641 0.79 TLR4 (0.46) KMT2APOLBABL1RIN1TDP1
SCHEMBL8276670 0.78 KMT2A (0.37) KMT2APOLBABL1RIN1TDP1
SCHEMBL9442546 0.77 KMT2A (0.36) KMT2APOLBABL1RIN1TDP1
SCHEMBL3969772 0.76 L3MBTL1 (0.44) KMT2ACYP2D6TP53L3MBTL1CYP1A2

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-8203004-B2 Tetrahydroindole derivatives for treatment of alzheimer's disease MERCK, SHARP & DOHME LIMITED (GB) 2012-06-19 US disclosed
US-20100016308-A1 Tetrahydroindole Derivatives for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LIMITED (GB) 2010-01-21 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-20100016308-A1 Tetrahydroindole Derivatives for Treatment of Alzheimer's Disease BACE1, BACE2, PSEN2 KMT2A 3305/4885POLB 1817/4885ABL1 3904/4885

“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.