SCHEMBL17031423

SCHEMBL17031423

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

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 2/20 0.45
▸ 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
▸ CYSLTR2 Q9NS75 2/20 0.37
▸ CYSLTR1 Q9Y271 2/20 0.37

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
SCHEMBL11993594 1.00 TAAR1 (0.45) TAAR1GPBAR1MMEACECPA1
SCHEMBL13881629 0.90 TAAR1 (0.45) TAAR1GPBAR1MMEACECPA1
SCHEMBL17032245 0.90 TAAR1 (0.45) TAAR1GPBAR1MMEACECPA1
SCHEMBL18539788 0.90 CYSLTR2 (0.43) TAAR1GPBAR1MMEACECPA1
SCHEMBL18539787 0.90 CYSLTR2 (0.43) TAAR1GPBAR1MMEACECPA1
SCHEMBL18550989 0.90 TAAR1 (0.45) TAAR1GPBAR1MMEACECPA1
SCHEMBL27945321 0.86 LMNA (0.45) TAAR1MMEACECPA1ACE2
SCHEMBL4568962 0.83 TSHR (0.44) TAAR1
SCHEMBL4568795 0.83 TSHR (0.44) TAAR1
SCHEMBL4568810 0.83 TSHR (0.44) TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2018-06-28 — — US disclosed
US-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2017-02-23 — — US disclosed
US-9458088-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2016-10-04 — — US disclosed
US-20150239825-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 (3 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-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER TAAR1 1482/4885GPBAR1 294/4885MME 1157/4885
US-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER TAAR1 1482/4885GPBAR1 294/4885MME 1157/4885
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER TAAR1 1482/4885GPBAR1 294/4885MME 1157/4885

“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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