SCHEMBL18355121

SCHEMBL18355121

CCOC(=O)/C=C/C(=O)OC[C@H](C)NC(=O)Oc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
LMNA P02545 3/20 0.51
CYP1A2 P05177 3/20 0.51
MDM2 Q00987 2/20 0.51
MDM4 O15151 1/20 0.51
ALDH1A1 P00352 1/20 0.50
THRB P10828 1/20 0.50
MTNR1A P48039 3/20 0.46
MTNR1B P49286 3/20 0.46
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
FAAH O00519 1/20 0.43
ZDHHC2 Q9UIJ5 1/20 0.42
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42

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
SCHEMBL18355325 1.00 MAPT (0.51) MAPTLMNACYP1A2MDM2MDM4
SCHEMBL18353104 0.95 CYP1A2 (0.52) MAPTLMNACYP1A2MDM2MDM4
SCHEMBL18352691 0.95 CYP1A2 (0.52) MAPTLMNACYP1A2MDM2MDM4
SCHEMBL18354852 0.91 CYP1A2 (0.49) MAPTLMNACYP1A2MDM2MDM4
SCHEMBL18354915 0.91 CYP1A2 (0.49) MAPTLMNACYP1A2MDM2MDM4
SCHEMBL18355328 0.89 MAPT (0.48) MAPTLMNACYP1A2MDM2MDM4
SCHEMBL18355141 0.89 MAPT (0.48) MAPTLMNACYP1A2MDM2MDM4
SCHEMBL18355247 0.88 CYP1A2 (0.47) MAPTLMNACYP1A2MDM2MDM4
SCHEMBL18355124 0.88 CYP1A2 (0.47) MAPTLMNACYP1A2MDM2MDM4
SCHEMBL18355332 0.83 CTSL (0.59) MAPTLMNAMDM2MDM4CTSL

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 MAPT 8/4885LMNA 4358/4885CYP1A2 1195/4885

“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.