SCHEMBL18364175

SCHEMBL18364175

CC(=O)NCCOC(=O)/C=C/C(=O)Oc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.60
MTNR1B P49286 10/20 0.60
L3MBTL1 Q9Y468 1/20 0.55
ZDHHC2 Q9UIJ5 1/20 0.52
USP2 O75604 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HCAR2 Q8TDS4 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
KMT2A Q03164 1/20 0.41

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
SCHEMBL18364190 0.86 ZDHHC2 (0.50) MTNR1AMTNR1BL3MBTL1ZDHHC2HCAR2
SCHEMBL18374811 0.85 ZDHHC2 (0.49) MTNR1AMTNR1BL3MBTL1ZDHHC2HSD17B10
SCHEMBL18352553 0.85 ZDHHC2 (0.48) MTNR1AMTNR1BZDHHC2HSD17B10HCAR2
SCHEMBL18364193 0.85 ZDHHC2 (0.52) MTNR1AMTNR1BL3MBTL1ZDHHC2HCAR2
SCHEMBL18364207 0.85 ZDHHC2 (0.49) MTNR1AMTNR1BL3MBTL1ZDHHC2HCAR2
SCHEMBL18354871 0.83 TAAR1 (0.50) MTNR1AMTNR1BZDHHC2HSD17B10HCAR2
SCHEMBL18364192 0.82 ZDHHC2 (0.47) MTNR1AMTNR1BL3MBTL1ZDHHC2TSHR
SCHEMBL18364198 0.82 RAB9A (0.51) MTNR1AMTNR1BL3MBTL1ZDHHC2HCAR2
SCHEMBL18364208 0.82 ZDHHC2 (0.50) MTNR1AMTNR1BL3MBTL1ZDHHC2ALOX15
SCHEMBL18412214 0.82 ATM (0.48) MTNR1AMTNR1BL3MBTL1USP2ALOX15

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-20170008835-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-20170008835-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC MTNR1A 3360/4885MTNR1B 2855/4885L3MBTL1 4164/4885

“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.