SCHEMBL17024418

SCHEMBL17024418

CCCC(CCC)COc1cccc(C[C@@H](O)CN=[N+]=[N-])c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 2/20 0.39
▸ CYSLTR1 Q9Y271 2/20 0.39
▸ HIF1A Q16665 1/20 0.38
▸ GPR88 Q9GZN0 1/20 0.37
▸ TSHR P16473 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ ADRB2 P07550 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ PRMT5 O14744 1/20 0.34
▸ WDR77 Q9BQA1 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL17024411 1.00 CYSLTR2 (0.39) CYSLTR2CYSLTR1HIF1AGPR88TSHR
SCHEMBL17024413 0.91 TSHR (0.36) HIF1ATSHRMAPK1ADRB2
SCHEMBL27795612 0.91 TSHR (0.36) HIF1ATSHRMAPK1ADRB2
SCHEMBL17024415 0.91 TSHR (0.36) HIF1ATSHRMAPK1ADRB2
SCHEMBL4568809 0.83 HIF1A (0.44) CYSLTR2CYSLTR1HIF1ATSHRMAPK1
SCHEMBL4568963 0.83 HIF1A (0.44) CYSLTR2CYSLTR1HIF1ATSHRMAPK1
SCHEMBL4568796 0.83 HIF1A (0.44) CYSLTR2CYSLTR1HIF1ATSHRMAPK1
SCHEMBL27795714 0.83 GGPS1 (0.50) TSHR
SCHEMBL27795610 0.83 GGPS1 (0.50) TSHR
SCHEMBL2204823 0.81 CYSLTR2 (0.43) CYSLTR2CYSLTR1HIF1ATSHRMAPK1

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-20150239836-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2015-08-27 — — 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-20150239836-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CYSLTR2 456/4885CYSLTR1 417/4885HIF1A 1254/4885

“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.

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