SCHEMBL18288693

SCHEMBL18288693

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nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.38
ALDH1A1 P00352 1/20 0.37
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
ATM Q13315 1/20 0.34
DPP4 P27487 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
SCHEMBL18288701 0.81 ALDH1A1 (0.50) HCAR2ALDH1A1MMP1MMP2MMP3
SCHEMBL18288690 0.81 ALDH1A1 (0.50) HCAR2ALDH1A1MMP1MMP2MMP3
SCHEMBL17092593 0.79 ALDH1A1 (0.40) HCAR2ALDH1A1MMP1MMP2MMP3
SCHEMBL18288684 0.79 HCAR2 (0.42) HCAR2MMP1MMP2MMP3MMP9
SCHEMBL23241118 0.75 ALDH1A1 (0.45) HCAR2ALDH1A1
SCHEMBL2609717 0.75 ALDH1A1 (0.45) HCAR2ALDH1A1
SCHEMBL17777292 0.75 ALDH1A1 (0.45) HCAR2ALDH1A1
SCHEMBL17092595 0.73 HCAR2 (0.50) HCAR2ALDH1A1
SCHEMBL17092590 0.73 HCAR2 (0.50) HCAR2ALDH1A1
SCHEMBL18288687 0.70 SMN1; SMN2 (0.49) HCAR2ALDH1A1

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-20160355464-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2016-12-08 US disclosed
US-20160355464-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2016-12-08 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-20160355464-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC HCAR2 290/4885ALDH1A1 1949/4885MMP1 955/4885

“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.