SCHEMBL1784713

SCHEMBL1784713

Cc1cc(CO)cc(C(C)(C)CC(C)(C)C)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 2/20 0.41
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
ALDH1A1 P00352 4/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
GMNN O75496 1/20 0.35
GABBR2 O75899 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
NFKB1 P19838 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL11025169 0.89 ALDH1A1 (0.43) SHBGCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL13899798 0.88 SHBG (0.46) SHBGCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL3810031 0.87 CYP1A2 (0.37) SHBGCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL2919349 0.85 TNKS2 (0.41) SHBGCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL9311592 0.85 CYP1A2 (0.38) SHBGCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL10602464 0.84 SHBG (0.42) SHBGCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL1792316 0.82 SHBG (0.36) SHBGCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL1785592 0.82 CYP2C9 (0.59) SHBGCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL31193211 0.82 CYP2C9 (0.59) SHBGCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL11652468 0.81 CYP1A2 (0.35) SHBGCYP1A2CYP2C9CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796939-B2 Multi-ring antioxidants with antiwear properties SI GROUP, INC. (US) 2017-10-24 US disclosed
US-20140038871-A1 MULTI-RING ANTIOXIDANTS WITH ANTIWEAR PROPERTIES ALBEMARLE CORPORATION (US) 2014-02-06 US disclosed
US-8580718-B2 Multi-ring antioxidants with antiwear properties ALBERMARLE CORPORATION (US) 2013-11-12 US disclosed
US-20110124540-A1 MULTI-RING ANTIOXIDANTS WITH ANTIWEAR PROPERTIES ALBEMARLE CORPORATION (US) 2011-05-26 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-20110124540-A1 MULTI-RING ANTIOXIDANTS WITH ANTIWEAR PROPERTIES GSR, CBR1, SOD1 SHBG 880/4885CYP1A2 925/4885CYP2C9 1225/4885

“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.