SCHEMBL18396113

SCHEMBL18396113

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nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CNR2 P34972 1/20 0.33
ESR1 P03372 1/20 0.32
KCNH2 Q12809 1/20 0.32
ALDH1A1 P00352 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
ALOX12 P18054 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL18395834 1.00 POLB (0.36) POLBMAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL18395830 1.00 POLB (0.36) POLBMAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL18396115 1.00 POLB (0.36) POLBMAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL24263116 0.79 CNR2 (0.34) POLBMAPK1CYP2C9CYP2C19CNR2
SCHEMBL24263122 0.79 CNR2 (0.34) POLBMAPK1CYP2C9CYP2C19CNR2
SCHEMBL18395913 0.77 MTNR1A (0.46) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL18395917 0.77 MTNR1A (0.46) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL18394981 0.77 MTNR1A (0.46) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL18394986 0.77 MTNR1A (0.46) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL18395936 0.75 GAA (0.34) CYP2C9CYP2C19CYP2D6SMN1; SMN2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170022147-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-26 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-20170022147-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC POLB 471/4885MAPK1 4728/4885CYP1A2 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.