SCHEMBL6359228

SCHEMBL6359228

CCCCC(Oc1ccc(CC(=O)Nc2cc(C)cc(C)c2)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 5/20 0.47
▸ PTGES O14684 1/20 0.47
▸ ALOX5 P09917 1/20 0.47
▸ PPARA Q07869 5/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ LMNA P02545 3/20 0.44
▸ CNR2 P34972 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ NLRP3 Q96P20 1/20 0.42
▸ CTRC Q99895 1/20 0.42
▸ HPGD P15428 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ PDE4A P27815 1/20 0.41

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
SCHEMBL6355594 0.93 PPARG (0.50) PPARGPPARAALDH1A1LMNAMEN1
SCHEMBL6355171 0.89 SMN1; SMN2 (0.52) PPARGPPARAALDH1A1LMNAMEN1
SCHEMBL6357609 0.81 PPARA (0.48) PPARGPPARAALDH1A1LMNAMEN1
SCHEMBL6357275 0.81 EPHX2 (0.48) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL8700410 0.80 ALDH1A1 (0.47) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL6357782 0.80 NLRP3 (0.52) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL19602224 0.79 ALDH1A1 (0.49) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL8700418 0.75 SMN1; SMN2 (0.56) PPARGPPARAMEN1KMT2ASMN1; SMN2
SCHEMBL8409841 0.74 SMN1; SMN2 (0.48) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL6357278 0.74 EPHX2 (0.52) PPARGPPARAALDH1A1MEN1KMT2A

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 PPARG 943/4885PTGES 931/4885ALOX5 4056/4885
US-20050154062-A1 Substituted chiral allosteric hemoglobin modifiers HBZ, HBB, HBG2 PPARG 943/4885PTGES 931/4885ALOX5 4056/4885

“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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