SCHEMBL17955612

SCHEMBL17955612

CCC(COC(=O)/C=C/C(=O)OC(C)(C)C)OC(=O)/C=C/C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.34
ATM Q13315 1/20 0.34
PRKCA P17252 4/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
SERPINE1 P05121 1/20 0.31

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
SCHEMBL17955795 0.86 PRKCA (0.33) HCAR2ATMPRKCALMNASERPINE1
SCHEMBL17955575 0.85 ALDH1A1 (0.32) HCAR2ATMPRKCATSHRALDH1A1
SCHEMBL17955634 0.83 PRKCA (0.31) PRKCA
SCHEMBL17955614 0.83 HCAR2 (0.52) HCAR2ATMTSHRALDH1A1LMNA
SCHEMBL17955615 0.81 HCAR2 (0.46) HCAR2ATMTSHRTDP1
SCHEMBL18475971 0.79
SCHEMBL17955632 0.78 DRD4 (0.41) ALDH1A1LMNA
SCHEMBL7780698 0.76 HCAR2 (0.38) HCAR2ATMPRKCALMNA
SCHEMBL3516782 0.76 HCAR2 (0.38) HCAR2ATMPRKCALMNA
SCHEMBL17955786 0.76 MEN1 (0.41) ALDH1A1

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-20170027898-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE NGUYEN MARK QUANG (US) 2017-02-02 US disclosed
US-9403784-B1 Fumarate compounds, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2016-08-02 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-20170027898-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC HCAR2 290/4885ATM 4406/4885PRKCA 3553/4885

“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.