SCHEMBL18539787

SCHEMBL18539787

CCCC(CCC)COc1cccc(C[C@@H](C)CC)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 5/20 0.43
▸ CYSLTR1 Q9Y271 5/20 0.43
▸ TAAR1 Q96RJ0 2/20 0.42
▸ GPBAR1 Q8TDU6 1/20 0.41
▸ MME P08473 1/20 0.39
▸ ACE P12821 1/20 0.39
▸ CPA1 P15085 1/20 0.39
▸ ACE2 Q9BYF1 1/20 0.39

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
SCHEMBL18539788 1.00 CYSLTR2 (0.43) CYSLTR2CYSLTR1TAAR1GPBAR1MME
SCHEMBL11993594 0.90 TAAR1 (0.45) CYSLTR2CYSLTR1TAAR1GPBAR1MME
SCHEMBL17031423 0.90 TAAR1 (0.45) CYSLTR2CYSLTR1TAAR1GPBAR1MME
SCHEMBL18293493 0.89 TAAR1 (0.43) CYSLTR2CYSLTR1TAAR1
SCHEMBL13881670 0.89 TAAR1 (0.43) CYSLTR2CYSLTR1TAAR1
SCHEMBL18550938 0.89 TAAR1 (0.43) CYSLTR2CYSLTR1TAAR1
SCHEMBL4568796 0.84 HIF1A (0.44) CYSLTR2CYSLTR1
SCHEMBL4568963 0.84 HIF1A (0.44) CYSLTR2CYSLTR1
SCHEMBL4568809 0.84 HIF1A (0.44) CYSLTR2CYSLTR1
SCHEMBL4568906 0.83 MAPK1 (0.50) CYSLTR2CYSLTR1

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-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2017-02-23 — — 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-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CYSLTR2 456/4885CYSLTR1 417/4885TAAR1 1482/4885

“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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