SCHEMBL17779792

SCHEMBL17779792

CC/C(=C\C=C(/C)C(C)=O)CC(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
TSHR P16473 3/20 0.34
POLB P06746 1/20 0.33
POLA1 P09884 1/20 0.33
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GLO1 Q04760 1/20 0.31

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
SCHEMBL17779848 0.82 MGAM (0.36) MGAMGAASIMGAM2TSHR
SCHEMBL8998094 0.74 MGAM (0.46) MGAMGAASIMGAM2TSHR
SCHEMBL17779793 0.74 MGAM (0.38) MGAMGAASIMGAM2TSHR
SCHEMBL12593429 0.71 MGAM (0.38) MGAMGAASIMGAM2TSHR
SCHEMBL17779795 0.71 MCL1 (0.36)
SCHEMBL18469390 0.68 TSHR (0.46) TSHRGLO1
SCHEMBL4452690 0.68 TDP1 (0.38) TSHRGLO1
SCHEMBL4450446 0.68 TDP1 (0.38) TSHRGLO1
SCHEMBL20438201 0.67 MGAM (0.48) MGAMGAASIMGAM2TSHR
SCHEMBL14305685 0.67 MGAM (0.43) MGAMGAASIMGAM2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160145212-A1 ACETYL-COA CARBOXYLASE MODULATORS MONSANTO TECHNOLOGY LLC (US) 2016-05-26 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-20160145212-A1 ACETYL-COA CARBOXYLASE MODULATORS ACACA, ACACB, ACAT2 MGAM 225/4885GAA 277/4885SI 2542/4885

“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.