Sugi Predict

Sugi Predict / Compounds / SCHEMBL1476962

SCHEMBL1476962

SCHEMBL1476962

CCOC(=O)C(C)(C)OC(=O)Cc1c(CC)cc(CC)cc1CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 3/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ PPARG P37231 1/20 0.36
▸ FBP1 P09467 5/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ CNR2 P34972 3/20 0.33
▸ CYP4F2 P78329 1/20 0.33
▸ CYP4A11 Q02928 1/20 0.33
▸ HSPA5 P11021 1/20 0.33
▸ CA12 O43570 2/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA7 P43166 2/20 0.32

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
SCHEMBL1153447 0.78 CNR2 (0.46) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3173395 0.77 PPARA (0.38) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL9883893 0.75 CYP4F2 (0.40) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL2430594 0.73 PPARA (0.35) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL13096279 0.72 MTNR1A (0.41) TSHRALDH1A1HSPA5
SCHEMBL1813981 0.71 CNR2 (0.43) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3771725 0.71 SMN1; SMN2 (0.42) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL812012 0.71 TSHR (0.51) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL4678703 0.70 CYP4F2 (0.43) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL27349432 0.70 PPARA (0.49) PPARAABCB11CYP1A2CYP3A4TSHR

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673818-B2 C2-phenyl-substituted cyclic ketonols BAYER AKTIENGESELLSCHAFT (DE) 2014-03-18 — — US disclosed
US-8673818-B2 C2-phenyl-substituted cyclic ketonols BAYER AKTIENGESELLSCHAFT (DE) 2014-03-18 — — US disclosed
US-8673818-B2 C2-phenyl-substituted cyclic ketonols BAYER AKTIENGESELLSCHAFT (DE) 2014-03-18 — — US disclosed
US-8334300-B2 C2-phenyl-substituted cyclic ketonols BAYER AKTIENGESELLSHAFT (DE) 2012-12-18 — — US disclosed
US-8334300-B2 C2-phenyl-substituted cyclic ketonols BAYER AKTIENGESELLSHAFT (DE) 2012-12-18 — — US disclosed
US-8334300-B2 C2-phenyl-substituted cyclic ketonols BAYER AKTIENGESELLSHAFT (DE) 2012-12-18 — — US disclosed
US-20120238450-A1 C2-PHENYL-SUBSTITUTED CYCLIC KETONOLS BAYER AKTIENGESELLSCHAFT (DE) 2012-09-20 — — US disclosed
US-20120238450-A1 C2-PHENYL-SUBSTITUTED CYCLIC KETONOLS BAYER AKTIENGESELLSCHAFT (DE) 2012-09-20 — — US disclosed
US-8193120-B2 C2-phenyl-substituted cyclic ketonols BAYER AKTIENGESELLSCHAFT (DE) 2012-06-05 — — US disclosed
US-8193120-B2 C2-phenyl-substituted cyclic ketonols BAYER AKTIENGESELLSCHAFT (DE) 2012-06-05 — — US disclosed
US-20110183849-A1 C2-PHENYL-SUBSTITUTED CYCLIC KETONOLS BAYER AKTIENGESELLSCHAFT (DE) 2011-07-28 — — US disclosed
US-20110183849-A1 C2-PHENYL-SUBSTITUTED CYCLIC KETONOLS BAYER AKTIENGESELLSCHAFT (DE) 2011-07-28 — — US disclosed
US-20110183849-A1 C2-PHENYL-SUBSTITUTED CYCLIC KETONOLS BAYER AKTIENGESELLSCHAFT (DE) 2011-07-28 — — US disclosed
US-20110143943-A1 C2-PHENYL-SUBSTITUTED CYCLIC KETONOLS BAYER AKTIENGESELLSCHAFT (DE) 2011-06-16 — — US disclosed
US-20110143943-A1 C2-PHENYL-SUBSTITUTED CYCLIC KETONOLS BAYER AKTIENGESELLSCHAFT (DE) 2011-06-16 — — US disclosed
US-20110143943-A1 C2-PHENYL-SUBSTITUTED CYCLIC KETONOLS BAYER AKTIENGESELLSCHAFT (DE) 2011-06-16 — — US disclosed
US-7915282-B2 Preparation by intramolecular cyclization BAYER AKTIENGESELLSCHAFT (DE) 2011-03-29 — — US disclosed
US-7915282-B2 Preparation by intramolecular cyclization BAYER AKTIENGESELLSCHAFT (DE) 2011-03-29 — — US disclosed
US-7915282-B2 Preparation by intramolecular cyclization BAYER AKTIENGESELLSCHAFT (DE) 2011-03-29 — — US disclosed
US-20030216260-A1 C2-phenyl-substituted cyclic keto-enols used as pesticides and herbicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-11-20 — — 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 (4 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-20030216260-A1 C2-phenyl-substituted cyclic keto-enols used as pesticides and herbicides PDHX, AKR1C3, AKR1A1 PPARA 814/4885ABCB11 1990/4885CYP1A2 81/4885
US-20110143943-A1 C2-PHENYL-SUBSTITUTED CYCLIC KETONOLS AKR1C3, PDHX, AKR1C2 PPARA 760/4885ABCB11 1716/4885CYP1A2 88/4885
US-20110183849-A1 C2-PHENYL-SUBSTITUTED CYCLIC KETONOLS AKR1C3, PDHX, AKR1C2 PPARA 760/4885ABCB11 1716/4885CYP1A2 88/4885
US-20120238450-A1 C2-PHENYL-SUBSTITUTED CYCLIC KETONOLS AKR1C3, AKR1C4, AKR1C2 PPARA 481/4885ABCB11 2796/4885CYP1A2 67/4885

“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.