SCHEMBL3753078

SCHEMBL3753078

CCOC(=O)CC1C2CCCC1CCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 2/20 0.40
TRPA1 O75762 1/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX2 P34913 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP1A2 P05177 1/20 0.35
ATM Q13315 2/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
THRB P10828 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34

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
SCHEMBL26077269 0.81 MGAM (0.40) MGAMGAASIMGAM2ALDH1A1
SCHEMBL24784336 0.81 ALDH1A1 (0.42) MGAMGAASIMGAM2ALDH1A1
SCHEMBL29030965 0.79 EPHX2 (0.40) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1881523 0.79 ALDH1A1 (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL8908505 0.79 TSHR (0.39) MGAMGAASIMGAM2KMT2A
SCHEMBL22787488 0.78 HSD11B1 (0.53) MGAMGAASIMGAM2ALDH1A1
SCHEMBL19052835 0.77 MGAM (0.36) MGAMGAASIMGAM2ALDH1A1
SCHEMBL19052822 0.77 MGAM (0.36) MGAMGAASIMGAM2ALDH1A1
SCHEMBL851434 0.76 GAA (0.43) MGAMGAASIMGAM2ALDH1A1
Ethyl Propionate SCHEMBL27773803 0.76 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1

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-8962639-B2 Potassium channel modulators ABBVIE INC. (US) 2015-02-24 US disclosed
US-20100305109-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2010-12-02 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-20100305109-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNJ2 MGAM 4662/4885GAA 2874/4885SI 4387/4885

“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.