SCHEMBL18355142

SCHEMBL18355142

COC(=O)/C=C/C(=O)OCNC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.56
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HTT P42858 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TGM2 P21980 1/20 0.48
CTSL P07711 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CA12 O43570 1/20 0.47
AKR1B10 O60218 1/20 0.47
AKR1B1 P15121 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47

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
SCHEMBL5898485 0.86 HCAR2 (0.74) HCAR2LMNAALDH1A1CTSLL3MBTL1
SCHEMBL5897900 0.86 HCAR2 (0.74) HCAR2LMNAALDH1A1CTSLL3MBTL1
SCHEMBL5897892 0.86 HCAR2 (0.74) HCAR2LMNAALDH1A1CTSLL3MBTL1
SCHEMBL16092878 0.86 LMNA (0.65) HCAR2LMNASMN1; SMN2HTTTGM2
Ammonia Solution, Strong SCHEMBL27556861 0.85 HCAR2 (0.72) HCAR2LMNAALDH1A1CTSLL3MBTL1
SCHEMBL18354925 0.84 HTT (0.59) HCAR2LMNASMN1; SMN2HTTALDH1A1
SCHEMBL8551054 0.83 SMN1; SMN2 (0.52) HCAR2LMNASMN1; SMN2HTTALDH1A1
SCHEMBL18352682 0.83 TGM2 (0.58) HCAR2LMNASMN1; SMN2HTTTGM2
SCHEMBL18353212 0.82 TGM2 (0.60) HCAR2LMNASMN1; SMN2HTTTGM2
SCHEMBL18353024 0.82 TGM2 (0.60) HCAR2LMNASMN1; SMN2HTTTGM2

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-20170001953-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-05 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-20170001953-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC HCAR2 290/4885LMNA 4358/4885SMN1; SMN2 79/4885

“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.