SCHEMBL20318756

SCHEMBL20318756

CC[C@@H](C)Cc1cccc(OCC(O)(CC)CC)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.41
MME P08473 2/20 0.38
ACE P12821 2/20 0.38
CPA1 P15085 2/20 0.38
ACE2 Q9BYF1 2/20 0.38
CYSLTR2 Q9NS75 2/20 0.37
CYSLTR1 Q9Y271 2/20 0.37
GGPS1 O95749 2/20 0.37
MAPK1 P28482 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
VDR P11473 2/20 0.34
GPBAR1 Q8TDU6 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
SCHEMBL20318755 1.00 TAAR1 (0.41) TAAR1MMEACECPA1ACE2
SCHEMBL4569013 0.92 TAAR1 (0.39) TAAR1MMEACECPA1ACE2
SCHEMBL4569007 0.92 TAAR1 (0.39) TAAR1MMEACECPA1ACE2
SCHEMBL20332597 0.89 TAAR1 (0.42) TAAR1MMEACECPA1ACE2
SCHEMBL4569004 0.86 VDR (0.38) TAAR1MMEACECPA1ACE2
SCHEMBL4568995 0.86 VDR (0.38) TAAR1MMEACECPA1ACE2
SCHEMBL4568988 0.86 VDR (0.38) TAAR1MMEACECPA1ACE2
SCHEMBL20332599 0.82 TAAR1 (0.40) TAAR1MMEACECPA1ACE2
SCHEMBL15150976 0.81 TAAR1 (0.39) TAAR1GGPS1MAPK1L3MBTL1TSHR
SCHEMBL20332003 0.81 TAAR1 (0.42) TAAR1MMEACECPA1ACE2

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-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2018-06-28 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-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER TAAR1 1482/4885MME 1157/4885ACE 1010/4885

“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.