SCHEMBL18353023

SCHEMBL18353023

CN(CCCOC(=O)/C=C/C(=O)OCCCN(C)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.54
LMNA P02545 1/20 0.48
AKR1B10 O60218 6/20 0.46
AKR1B1 P15121 6/20 0.46
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 1/20 0.45
F13A1 P00488 1/20 0.45
TGM2 P21980 1/20 0.45
TGM1 P22735 1/20 0.45
CA12 O43570 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44

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
SCHEMBL18355349 0.95 HCAR2 (0.49) HCAR2LMNAAKR1B10AKR1B1ALDH1A1
SCHEMBL18353129 0.92 HCAR2 (0.56) HCAR2LMNAAKR1B10AKR1B1ALDH1A1
SCHEMBL18355457 0.87 HCAR2 (0.51) HCAR2LMNAAKR1B10AKR1B1ALDH1A1
SCHEMBL25973768 0.85 ALDH1A1 (0.47) LMNAALDH1A1KDM4EF13A1TGM2
SCHEMBL1896919 0.83 ALDH1A1 (0.49) ALDH1A1F13A1TGM2TGM1CHRNB2
SCHEMBL7367495 0.82 ALDH1A1 (0.58) HCAR2LMNAALDH1A1F13A1TGM2
SCHEMBL27353515 0.82 TGM2 (0.51) HCAR2LMNAAKR1B10AKR1B1ALDH1A1
SCHEMBL18352518 0.82 ALDH1A1 (0.46) HCAR2LMNAALDH1A1KDM4ETDP1
SCHEMBL20794169 0.81 ALDH1A1 (0.52) LMNAALDH1A1KDM4EF13A1TGM2
SCHEMBL1897393 0.81 CCR6 (0.51) HCAR2LMNAALDH1A1F13A1TGM2

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 4358/4885AKR1B10 1420/4885

“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.