SCHEMBL6356233

SCHEMBL6356233

CCOC(C(=O)Nc1cc(C)cc(C)c1)c1ccc(OC(C)(C)C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 10/20 0.44
▸ PPARG P37231 3/20 0.44
▸ PPARD Q03181 2/20 0.44
▸ HTT P42858 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ADRB3 P13945 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ POLB P06746 1/20 0.38

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 0.83 PPARA (0.44) PPARAPPARGHTTNPSR1ALDH1A1
SCHEMBL6357197 0.77 PPARA (0.51) PPARAPPARGHTTNPSR1ALDH1A1
SCHEMBL23752346 0.75 THRB (0.51) PPARAPPARGPPARDHTTALDH1A1
Efaproxiral SCHEMBL1649963 0.75 PPARA (0.54) PPARAPPARGPPARDALDH1A1KMT2A
Efaproxiral SCHEMBL3768310 0.74 PPARA (0.52) PPARAPPARGPPARDALDH1A1KMT2A
SCHEMBL29079329 0.73 PPARA (0.56) PPARAPPARGPPARDALDH1A1KMT2A
SCHEMBL806020 0.70 PPARA (0.50) PPARAPPARGPPARDALDH1A1KMT2A
SCHEMBL9274728 0.70 PPARA (0.58) PPARAPPARGPPARDALDH1A1MAPT
SCHEMBL29107191 0.69 THRB (0.50) PPARAPPARGKMT2ANPC1
SCHEMBL4561508 0.69 POLB (0.56) HTTALDH1A1KMT2AMEN1GAA

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 1742/4885PPARG 943/4885PPARD 919/4885
US-20050154062-A1 Substituted chiral allosteric hemoglobin modifiers HBZ, HBB, HBG2 PPARA 1742/4885PPARG 943/4885PPARD 919/4885

“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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