SCHEMBL3172997

SCHEMBL3172997

CC(C)Oc1ccc(OCc2ccc(O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.59
LMNA P02545 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2C19 P33261 2/20 0.58
PTGS1 P23219 1/20 0.58
SLC6A2 P23975 1/20 0.58
PTGS2 P35354 1/20 0.58
SLC6A3 Q01959 1/20 0.58
HIF1A Q16665 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
POLB P06746 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GAA P10253 2/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
BLM P54132 1/20 0.51
ATM Q13315 1/20 0.51
MITF O75030 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL27378584 0.85 PPARG (0.56) APPLMNACYP1A2CYP2C19PTGS1
SCHEMBL23128645 0.85 MAOB (0.56) APPLMNAPOLBKMT2AMAPT
SCHEMBL5197463 0.85 ESR1 (0.56) LMNACYP1A2CYP2C19POLBMEN1
SCHEMBL28485 0.84 KMT2A (0.56) CYP1A2CYP2C19POLBMEN1KMT2A
SCHEMBL11578826 0.84 APP (0.79) APPLMNACYP1A2CYP2C19PTGS1
SCHEMBL5633306 0.84 APP (0.79) APPLMNACYP1A2CYP2C19PTGS1
SCHEMBL8634028 0.83 LMNA (0.60) LMNACYP1A2CYP2C19PTGS1SLC6A2
SCHEMBL5174164 0.82 BCHE (0.47) APPLMNAPOLBL3MBTL1BCHE
SCHEMBL4523904 0.82 LTA4H (0.67) LMNAPOLBL3MBTL1RXRARXRB
SCHEMBL14441136 0.81 RXRA (0.69) APPLMNACYP1A2CYP2C19PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2173720-A2 2-IMIDAZOLINES HAVING A GOOD AFFINITY TO THE TRACE AMINE ASSOCIATED RECEPTORS (TAARS) F. Hoffmann-Roche AG (CH) 2010-04-14 EP disclosed
CN-101687812-A The 2-imidazolinium compounds that trace amine associated receptors (TAAR) is had good affinity HOFFMANN LA ROCHE 2010-03-31 CN disclosed
US-7652055-B2 2-imidazolines HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
US-20090018180-A1 2-IMIDAZOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-15 US disclosed
WO-2009003868-A2 2 -IMIDAZOLINES HAVING A GOOD AFFINITY TO THE TRACE AMINE ASSOCIATED RECEPTORS (TAARS) F. HOFFMANN-LA ROCHE AG (CH) 2009-01-08 WO 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-20090018180-A1 2-IMIDAZOLINES TAAR1, TAAR5, NPY1R APP 213/4885LMNA 3043/4885CYP1A2 114/4885

“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.