SCHEMBL19969484

SCHEMBL19969484

CC(C)C(C)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.56
SLC6A4 P31645 3/20 0.56
SLC6A2 P23975 2/20 0.56
SLC6A3 Q01959 2/20 0.56
GAA P10253 2/20 0.54
MAPT P10636 1/20 0.54
ATM Q13315 1/20 0.54
CYP2D6 P10635 3/20 0.53
NPSR1 Q6W5P4 1/20 0.48
CYP3A4 P08684 2/20 0.47
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
AOC3 Q16853 1/20 0.43

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
SCHEMBL21791708 0.89 TAAR1 (0.70) TAAR1SLC6A4SLC6A2SLC6A3GAA
Machilin A SCHEMBL31237868 0.85 TAAR1 (0.74) TAAR1SLC6A4SLC6A2SLC6A3GAA
Machilin A SCHEMBL30678762 0.85 TAAR1 (0.74) TAAR1SLC6A4SLC6A2SLC6A3GAA
Machilin A SCHEMBL10343221 0.85 TAAR1 (0.74) TAAR1SLC6A4SLC6A2SLC6A3GAA
SCHEMBL5018909 0.85 TAAR1 (0.59) TAAR1SLC6A4SLC6A2SLC6A3GAA
SCHEMBL3841679 0.82 TAAR1 (0.81) TAAR1SLC6A4SLC6A2SLC6A3MAPT
SCHEMBL98038 0.82 TAAR1 (0.56) TAAR1SLC6A4SLC6A2SLC6A3GAA
SCHEMBL22885190 0.82 TAAR1 (0.81) TAAR1SLC6A4SLC6A2SLC6A3MAPT
SCHEMBL14199081 0.82 TAAR1 (0.56) TAAR1SLC6A4SLC6A2SLC6A3GAA
Hydrochloric Acid SCHEMBL4685567 0.81 TAAR1 (0.55) TAAR1SLC6A4SLC6A2SLC6A3GAA

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-20180072677-A1 Peptidomimetics and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2018-03-15 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-20180072677-A1 Peptidomimetics and Methods of Using the Same OPRM1, OPRL1, OPRD1 TAAR1 174/4885SLC6A4 1406/4885SLC6A2 1133/4885

“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.