SCHEMBL1783230

SCHEMBL1783230

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SHBG P04278 1/20 0.41
▸ CYP1A2 P05177 3/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ ALDH1A1 P00352 5/20 0.35
▸ MAPK1 P28482 3/20 0.35
▸ TSHR P16473 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ BLM P54132 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ATM Q13315 2/20 0.35
▸ HIF1A Q16665 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ GMNN O75496 1/20 0.35
▸ GABBR2 O75899 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ NFKB1 P19838 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
SCHEMBL1785393 0.89 ALDH1A1 (0.43) CYP1A2CYP2C9CYP2C19ALDH1A1MAPK1
SCHEMBL9514191 0.88 SHBG (0.46) SHBGCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL1786090 0.82 CYP1A2 (0.36) SHBGCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL31193211 0.82 CYP2C9 (0.59) SHBGCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL1785592 0.82 CYP2C9 (0.59) SHBGCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL11576252 0.78 CYP2C9 (0.44) CYP1A2CYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL11783326 0.78 CYP2C9 (0.44) CYP1A2CYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL11474618 0.78 ALDH1A1 (0.48) CYP1A2CYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL1785809 0.77 ALDH1A1 (0.38) CYP1A2CYP2C9CYP2C19ALDH1A1CYP3A4
SCHEMBL10602464 0.77 SHBG (0.42) 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.

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