SCHEMBL5990929

SCHEMBL5990929

[CH2][C@@H](C)c1cccc(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASR P41180 3/20 0.50
AOC3 Q16853 3/20 0.49
ACHE P22303 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
TAAR1 Q96RJ0 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
POLB P06746 1/20 0.44

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
SCHEMBL14060408 1.00 CASR (0.50) CASRAOC3ACHEL3MBTL1TAAR1
SCHEMBL8317373 0.85 CASR (0.51) CASRAOC3ACHEL3MBTL1CA1
SCHEMBL10290007 0.83 CASR (0.53) CASRAOC3ACHEL3MBTL1TAAR1
SCHEMBL84440 0.83 HDAC4 (0.55) CASRAOC3ACHEL3MBTL1TAAR1
SCHEMBL11619720 0.83 CASR (0.53) CASRAOC3ACHEL3MBTL1TAAR1
SCHEMBL30601580 0.83 HDAC4 (0.55) CASRAOC3ACHEL3MBTL1TAAR1
SCHEMBL1254356 0.82 AOC3 (0.56) CASRAOC3ACHEL3MBTL1CA1
SCHEMBL27898376 0.82 AOC3 (0.51) CASRAOC3ACHEL3MBTL1TAAR1
SCHEMBL10446047 0.81 AOC3 (0.53) CASRAOC3ACHEL3MBTL1TAAR1
SCHEMBL15271036 0.81 CASR (0.51) CASRAOC3ACHEL3MBTL1TAAR1

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-20060287378-A1 Novel pyrroles and imidazoles WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
US-20050239857-A1 Novel imidazoles BOLTON GARY L 2005-10-27 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 (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-20060287378-A1 Novel pyrroles and imidazoles PPIP5K2, PPIE, PPOX CASR 4853/4885AOC3 1964/4885ACHE 1373/4885
US-20050239857-A1 Novel imidazoles HMGCR, HMGB2, HMGB3 CASR 4877/4885AOC3 1448/4885ACHE 1215/4885

“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.