SCHEMBL18007409

SCHEMBL18007409

O=C1CC(OC(=O)/C=C/C(=O)OCc2ccccc2)C(=O)N1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.54
LMNA P02545 1/20 0.48
AKR1B10 O60218 2/20 0.45
AKR1B1 P15121 2/20 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
GPBAR1 Q8TDU6 5/20 0.43
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
TTR P02766 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 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
SCHEMBL18014892 0.88 HCAR2 (0.51) HCAR2LMNAAKR1B10AKR1B1CA12
SCHEMBL148443 0.84 GPBAR1 (0.46) GPBAR1BRD4CREBBPDDB1CRBN
SCHEMBL18007411 0.82 DDB1 (0.44) DDB1CRBNALDH1A1GAA
SCHEMBL18015890 0.81 MAP3K14 (0.38) DDB1CRBNGAA
SCHEMBL18009319 0.80 HCAR2 (0.54) HCAR2LMNAAKR1B10AKR1B1CA12
SCHEMBL18009269 0.79 HCAR2 (0.42) HCAR2LMNACA12CA7CA9
SCHEMBL18009291 0.78 ATM (0.37) HCAR2DDB1CRBN
SCHEMBL7191584 0.77 ALDH1A1 (0.47) LMNAALDH1A1GAASMN1; SMN2
SCHEMBL357565 0.76 HCAR2 (0.89) HCAR2LMNAAKR1B10AKR1B1CA12
SCHEMBL337504 0.76 HCAR2 (0.89) HCAR2LMNAAKR1B10AKR1B1CA12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9630934-B2 Fumarate compounds, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2017-04-25 US disclosed
WO-2016127186-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE NGUYEN MARK QUANG (US) 2016-08-11 WO disclosed
US-20160229819-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2016-08-11 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-20160229819-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.