SCHEMBL18364786

SCHEMBL18364786

CC(C)[C@@H](COC(=O)/C=C/C(=O)OC[C@@H](NC(=O)Nc1ccccc1)C(C)C)NC(=O)Nc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.49
EPHX2 P34913 2/20 0.46
MAPK1 P28482 1/20 0.44
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
THRB P10828 1/20 0.42
TP53 P04637 1/20 0.42
EPHX1 P07099 1/20 0.42
TSHR P16473 1/20 0.42
CDK9 P50750 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
HPGD P15428 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MDM4 O15151 1/20 0.40
MDM2 Q00987 1/20 0.40

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
SCHEMBL18364777 1.00 HSD17B10 (0.49) HSD17B10EPHX2MAPK1LMNASMN1; SMN2
SCHEMBL18364299 0.96 HSD17B10 (0.46) HSD17B10EPHX2MAPK1LMNASMN1; SMN2
SCHEMBL18364316 0.96 HSD17B10 (0.46) HSD17B10EPHX2MAPK1LMNASMN1; SMN2
SCHEMBL18364785 0.87 HSD17B10 (0.53) HSD17B10EPHX2MAPK1LMNASMN1; SMN2
SCHEMBL18364772 0.87 HSD17B10 (0.53) HSD17B10EPHX2MAPK1LMNASMN1; SMN2
SCHEMBL18364245 0.84 HSD17B10 (0.49) HSD17B10EPHX2MAPK1LMNASMN1; SMN2
SCHEMBL18364263 0.84 HSD17B10 (0.49) HSD17B10EPHX2MAPK1LMNASMN1; SMN2
SCHEMBL18364349 0.84 HSD17B10 (0.49) HSD17B10EPHX2MAPK1LMNASMN1; SMN2
SCHEMBL18364251 0.83 MAPT (0.53) HSD17B10EPHX2MAPK1LMNAMEN1
SCHEMBL18364351 0.83 MAPT (0.53) HSD17B10EPHX2MAPK1LMNAMEN1

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-20170008834-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-12 US disclosed
US-20170008834-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-12 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-20170008834-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC HSD17B10 871/4885EPHX2 2144/4885MAPK1 4728/4885

“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.