SCHEMBL18353129

SCHEMBL18353129

CN(CCOC(=O)/C=C/C(=O)OCCN(C)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.56
LMNA P02545 1/20 0.50
ALDH1A1 P00352 5/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
RECQL P46063 1/20 0.47
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
AKR1B10 O60218 6/20 0.47
AKR1B1 P15121 6/20 0.47
CA12 O43570 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

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
SCHEMBL18355457 0.95 HCAR2 (0.51) HCAR2LMNAALDH1A1MAPTPOLB
SCHEMBL18353023 0.92 HCAR2 (0.54) HCAR2LMNAALDH1A1MAPTPOLB
SCHEMBL18355349 0.87 HCAR2 (0.49) HCAR2LMNAALDH1A1TDP1L3MBTL1
SCHEMBL7367495 0.85 ALDH1A1 (0.58) HCAR2LMNAALDH1A1MAPTTDP1
SCHEMBL17067258 0.82 ALDH1A1 (0.56) HCAR2LMNAALDH1A1MAPTTDP1
SCHEMBL7747964 0.81 ALDH1A1 (0.47) LMNAALDH1A1MAPTTDP1L3MBTL1
SCHEMBL18353003 0.81 ALDH1A1 (0.48) HCAR2LMNAALDH1A1MAPTPOLB
SCHEMBL18412203 0.81 ALDH1A1 (0.50) HCAR2ALDH1A1MAPTPOLBGAA
SCHEMBL17695764 0.81 HCAR2 (0.54) HCAR2LMNAALDH1A1MAPTAKR1B10
SCHEMBL13181407 0.80 LTB4R (0.56) ALDH1A1MAPTF13A1TGM2TGM1

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-20170001952-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-05 US disclosed
US-20170001952-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-20170001952-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC HCAR2 290/4885LMNA 4358/4885ALDH1A1 1949/4885

“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.