SCHEMBL18355458

SCHEMBL18355458

CCOC(=O)/C=C/C(=O)OCCCNC(=O)Oc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ZDHHC2 Q9UIJ5 1/20 0.53
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
THRB P10828 1/20 0.49
RECQL P46063 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL18352683 0.93 ZDHHC2 (0.52) ZDHHC2L3MBTL1
SCHEMBL18355438 0.92 MAPT (0.51) ZDHHC2MAPTALDH1A1LMNATHRB
SCHEMBL18355254 0.91 ZDHHC2 (0.51) ZDHHC2RECQLL3MBTL1
SCHEMBL18354884 0.86 ZDHHC2 (0.47) ZDHHC2ALDH1A1LMNARECQLL3MBTL1
SCHEMBL18352553 0.85 ZDHHC2 (0.48) ZDHHC2LMNA
SCHEMBL18354876 0.84 HTT (0.58) MAPTALDH1A1LMNAL3MBTL1
SCHEMBL18354871 0.83 TAAR1 (0.50) ZDHHC2
SCHEMBL18406535 0.82 NAAA (0.55) MAPTALDH1A1LMNA
SCHEMBL1892954 0.81 SMN1; SMN2 (0.64) RECQLL3MBTL1
SCHEMBL18354903 0.80 ATM (0.53)

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-20170001953-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-05 US disclosed
US-20170001953-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-20170001953-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC ZDHHC2 153/4885MAPT 8/4885ALDH1A1 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.