SCHEMBL6357197

SCHEMBL6357197

CCOC(=O)C(C)(C)Oc1ccc(C(O)C(=O)Nc2cc(C)cc(C)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 5/20 0.51
▸ ABCB11 O95342 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ HTR2A P28223 1/20 0.51
▸ PMP22 Q01453 1/20 0.51
▸ FBP1 P09467 7/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ PPARG P37231 3/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ CNR1 P21554 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ NPC1 O15118 1/20 0.36

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
SCHEMBL6355754 0.86 PPARA (0.44) PPARACYP1A2CYP3A4TSHRHTT
SCHEMBL12998285 0.79 PPARA (0.53) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL6356233 0.77 PPARA (0.44) PPARACYP1A2CYP3A4HTTNPSR1
SCHEMBL10590453 0.76 PPARA (0.66) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL6357670 0.76 PPARA (0.49) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3903999 0.74 PPARA (0.76) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL6361342 0.73 NPSR1 (0.50) CYP3A4TSHRHTTNPSR1KMT2A
SCHEMBL23040068 0.72 PPARA (0.68) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3823703 0.72 PPARA (0.71) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL11548436 0.71 PPARA (0.76) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050154062-A1 Substituted chiral allosteric hemoglobin modifiers ALLOS THERAPEUTICS, INC. 2005-07-14 — — US disclosed
US-6894185-B2 Substituted chiral allosteric hemoglobin modifiers Allós Therapeutics, Inc. (US) 2005-05-17 — — US disclosed
EP-1206442-A4 SUBSTITUTED CHIRAL ALLOSTERIC HEMOGLOBIN MODIFIERS UNIV VIRGINIA COMMONWEALTH (US) 2004-12-29 — — EP disclosed
US-20030130523-A1 Substituted chiral allosteric hemoglobin modifiers ABRAHAM DONALD J (US) 2003-07-10 — — US disclosed
US-6486342-B1 Substituted chiral allosteric hemoglobin modifiers VIRGINIA COMMONWEALTH UNIVERSITY 2002-11-26 — — US disclosed
EP-1206442-A1 SUBSTITUTED CHIRAL ALLOSTERIC HEMOGLOBIN MODIFIERS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2002-05-22 — — EP disclosed
WO-2001014316-A1 SUBSTITUTED CHIRAL ALLOSTERIC HEMOGLOBIN MODIFIERS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2001-03-01 — — 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 (2 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-20030130523-A1 Substituted chiral allosteric hemoglobin modifiers HBZ, HBB, HBG2 PPARA 1742/4885ABCB11 4788/4885CYP1A2 3569/4885
US-20050154062-A1 Substituted chiral allosteric hemoglobin modifiers HBZ, HBB, HBG2 PPARA 1742/4885ABCB11 4788/4885CYP1A2 3569/4885

“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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