SCHEMBL4569007

SCHEMBL4569007

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.39
GGPS1 O95749 2/20 0.38
MME P08473 2/20 0.37
ACE P12821 2/20 0.37
CPA1 P15085 2/20 0.37
ACE2 Q9BYF1 2/20 0.37
CYSLTR2 Q9NS75 2/20 0.36
CYSLTR1 Q9Y271 2/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
MAPK1 P28482 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL4569013 1.00 TAAR1 (0.39) TAAR1GGPS1MMEACECPA1
SCHEMBL20318756 0.92 TAAR1 (0.41) TAAR1GGPS1MMEACECPA1
SCHEMBL20318755 0.92 TAAR1 (0.41) TAAR1GGPS1MMEACECPA1
SCHEMBL20332599 0.90 TAAR1 (0.40) TAAR1GGPS1MMEACECPA1
SCHEMBL4569003 0.87 GGPS1 (0.38) TAAR1GGPS1MMEACECPA1
SCHEMBL4568992 0.87 GGPS1 (0.38) TAAR1GGPS1MMEACECPA1
SCHEMBL4568989 0.87 GGPS1 (0.38) TAAR1GGPS1MMEACECPA1
SCHEMBL15150988 0.82 TAAR1 (0.38) TAAR1GGPS1PPARGPPARAMAPK1
SCHEMBL15151000 0.82 TAAR1 (0.38) TAAR1GGPS1PPARGPPARAMAPK1
SCHEMBL20332001 0.82 TAAR1 (0.40) TAAR1GGPS1PPARGPPARAMAPK1

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-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2018-06-28 US disclosed
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ACUCELA INC. (US) 2012-05-17 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 (2 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-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER TAAR1 1482/4885GGPS1 1244/4885MME 1157/4885
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER TAAR1 1482/4885GGPS1 1244/4885MME 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.