SCHEMBL3586131

SCHEMBL3586131

CC(C)(C)c1ccc(CC(C(N)=O)c2ccc3ccccc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.49
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
ADCY6 O43306 3/20 0.41
ADCY3 O60266 3/20 0.41
ADCY9 O60503 3/20 0.41
ADCY5 O95622 3/20 0.41
ADCY8 P40145 3/20 0.41
GCGR P47871 3/20 0.41
ADCY7 P51828 3/20 0.41
ADCY2 Q08462 3/20 0.41
ADCY1 Q08828 3/20 0.41
ADCY4 Q8NFM4 3/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
FCER2 P06734 1/20 0.41
MMP9 P14780 1/20 0.41
UTS2R Q9UKP6 1/20 0.40

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
SCHEMBL28605610 0.85 EPHX1 (0.68) EPHX1PPARGPPARDPPARASLC6A2
SCHEMBL3277794 0.81 EPHX1 (0.43) EPHX1ADCY6ADCY3ADCY9ADCY5
SCHEMBL5177167 0.81 EPHX1 (0.50) EPHX1
SCHEMBL4028048 0.81 EPHX1 (0.43) EPHX1
SCHEMBL5177355 0.80 L3MBTL1 (0.49) EPHX1MEN1LMNAKMT2A
SCHEMBL4027743 0.80 ESR1 (0.58) EPHX1LMNA
SCHEMBL3271868 0.80 EPHX1 (0.51) EPHX1ADCY6ADCY3ADCY9ADCY5
SCHEMBL3945921 0.80 MEN1 (0.47) EPHX1PPARGPPARDPPARAMEN1
Hydrochloric Acid SCHEMBL3950180 0.80 EPHX1 (0.42) EPHX1ADCY6ADCY3ADCY9ADCY5
SCHEMBL3939264 0.80 EPHX1 (0.49) EPHX1ADCY6ADCY3ADCY9ADCY5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
US-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2009-07-02 US claimed
EP-2049493-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL Cadila Healthcare Limited (IN) 2009-04-22 EP claimed
WO-2008059513-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2008-05-22 WO claimed
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed
US-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2009-07-02 US disclosed
EP-2049493-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL Cadila Healthcare Limited (IN) 2009-04-22 EP disclosed
WO-2008059513-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2008-05-22 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-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CETP, APOB, HDLBP EPHX1 1260/4885PPARG 520/4885PPARD 239/4885

“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.