SCHEMBL17024413

SCHEMBL17024413

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

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ ADRB2 P07550 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ TAAR1 Q96RJ0 2/20 0.33
▸ ADRB1 P08588 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
SCHEMBL17024415 1.00 TSHR (0.36) TSHRMAPK1HIF1AADRB2KDM4E
SCHEMBL27795612 1.00 TSHR (0.36) TSHRMAPK1HIF1AADRB2KDM4E
SCHEMBL17024418 0.91 CYSLTR2 (0.39) TSHRMAPK1HIF1AADRB2
SCHEMBL17024411 0.91 CYSLTR2 (0.39) TSHRMAPK1HIF1AADRB2
SCHEMBL4568810 0.83 TSHR (0.44) TSHRMAPK1HIF1AADRB2KDM4E
SCHEMBL4568962 0.83 TSHR (0.44) TSHRMAPK1HIF1AADRB2KDM4E
SCHEMBL4568795 0.83 TSHR (0.44) TSHRMAPK1HIF1AADRB2KDM4E
SCHEMBL27795610 0.82 GGPS1 (0.50) TSHR
SCHEMBL27795714 0.82 GGPS1 (0.50) TSHR
SCHEMBL27996080 0.80 LMNA (0.40) TSHRMAPK1HIF1AADRB2TAAR1

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-20150239836-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2015-08-27 — — US disclosed
CN-103553945-B Alkoxy compounds for disease treatment ACUCELA INC 2015-01-07 — — CN 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 TSHR 2964/4885MAPK1 2505/4885HIF1A 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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