SCHEMBL5482435

SCHEMBL5482435

CCCCCNC(=O)Cc1ccc(OC(C)(C)C(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 8/20 0.59
▸ HPGD P15428 1/20 0.55
▸ PPARG P37231 4/20 0.54
▸ ALDH1A1 P00352 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ TRPV1 Q8NER1 1/20 0.52
▸ PPARD Q03181 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ FABP2 P12104 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ PDE4A P27815 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ LTA4H P09960 1/20 0.46
▸ EPHX2 P34913 1/20 0.46

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
SCHEMBL8599968 0.88 HPGD (0.64) PPARAHPGDPPARGALDH1A1PPARD
SCHEMBL9760648 0.82 MGLL (0.63) —
SCHEMBL5481310 0.81 PPARA (0.61) PPARAPPARGALDH1A1PPARDSMN1; SMN2
SCHEMBL11570807 0.80 PPARA (0.74) PPARAPPARGALDH1A1PPARDSMN1; SMN2
SCHEMBL3841460 0.80 PPARA (0.59) PPARAPPARGALDH1A1PPARDSMN1; SMN2
SCHEMBL1355863 0.80 EPHX1 (0.60) PPARAPPARGALDH1A1LMNAPPARD
SCHEMBL8609571 0.79 PPARA (0.76) PPARAPPARGALDH1A1LMNAPPARD
SCHEMBL8594554 0.79 EPHX2 (0.63) PPARAHPGDPPARGALDH1A1TRPV1
SCHEMBL16743458 0.79 EPHX1 (0.63) PPARAPPARGALDH1A1PPARDEPHX2
SCHEMBL2436436 0.78 PPARA (0.59) PPARAHPGDPPARGALDH1A1PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070212302-A1 Preparation and Use of a Stable Formulation of Allosteric Effector Compounds ALLOS THERAPEUTICS, INC. (US) 2007-09-13 — — US disclosed
EP-1496863-A4 PREPARATION AND USE OF A STABLE FORMULATION OF ALLOSTERIC EFFECTOR COMPOUNDS ALLOS THERAPEUTICS INC (US) 2006-10-04 — — EP disclosed
US-7097825-B2 Methods and reagents to acquire MRI signals and images ALLOS THERAPEUTICS, INC. (US) 2006-08-29 — — US disclosed
EP-1381311-A4 METHODS AND REAGENTS TO ACQUIRE MRI SIGNALS AND IMAGES ALLOS THERAPEUTICS INC (US) 2005-04-27 — — EP disclosed
EP-1496863-A2 PREPARATION AND USE OF A STABLE FORMULATION OF ALLOSTERIC EFFECTOR COMPOUNDS Allos Therapeutics, Inc. (US) 2005-01-19 — — EP disclosed
EP-1468680-A2 Using allosteric hemoglobin modifiers to decrease oxygen affinity in blood Virginia Commonwealth University Intellectual Property Foundation, Inc. (US) 2004-10-20 — — EP disclosed
EP-1236711-B1 Using allosteric hemoglobin modifiers to decrease oxygen affinity in blood UNIV VIRGINIA COMMONWEALTH (US) 2004-03-03 — — EP disclosed
EP-1381311-A2 METHODS AND REAGENTS TO ACQUIRE MRI SIGNALS AND IMAGES Allos Therapeutics, Inc. (US) 2004-01-21 — — EP disclosed
US-20030232887-A1 Preparation and use of a stable formulation of allosteric effector compounds ALLOS THERAPEUTICS, INC. 2003-12-18 — — US disclosed
WO-2003086324-A2 PREPARATION AND USE OF A STABLE FORMULATION OF ALLOSTERIC EFFECTOR COMPOUNDS ALLOS THERAPEUTICS, INC. (US) 2003-10-23 — — WO disclosed
EP-0471811-B1 ALLOSTERIC HEMOGLOBIN MODIFIERS INNOVATIVE TECH CENTER (US) 1995-12-27 — — EP disclosed
US-5432191-A Ring-substituted phenoxymethyl /or substituted methyl/ carboxylates THE CENTER FOR INNOVATIVE TECHNOLOGY (US) 1995-07-11 — — US disclosed
US-5290803-A Using allosteric hemoglobin modifiers to decrease oxygen affinity in blood THE CENTER OF INNOVATIVE TECHNOLOGY (US) 1994-03-01 — — US disclosed
US-5250701-A 2-(Phthalomidomethylphenoxyalkanoic acid or ester; wound healing agents; antiischemic agents; blood storage; antidepressants; Alzheimer's disease; schizophrenia CENTER FOR INNOVATIVE TECHNOLOGY (US) 1993-10-05 — — US disclosed
US-5248785-A Using allosteric hemoglobin modifiers to decrease oxygen affinity in blood VIRGINIA COMMONWEALTH UNIVERSITY (US) 1993-09-28 — — US disclosed
EP-0471811-A4 ALLOSTERIC HEMOGLOBIN MODIFIERS — 1992-11-25 — — EP disclosed
US-5122539-A Allosteric hemoglobin modifiers useful for decreasing oxygen affinity and preserving oxygen carrying capability of stored blood CENTER FOR INNOVATIVE TECHNOLOGY (US) 1992-06-16 — — US disclosed
EP-0471811-A1 ALLOSTERIC HEMOGLOBIN MODIFIERS. INNOVATIVE TECH CENTER (US) 1992-02-26 — — EP disclosed
US-5049695-A Substituted diphenyl carbamates CENTER FOR INNOVATIVE TECHNOLOGY (US) 1991-09-17 — — US disclosed
WO-1991012235-A1 ALLOSTERIC HEMOGLOBIN MODIFIERS CENTER FOR INNOVATIVE TECHNOLOGY (US) 1991-08-22 — — 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-20070212302-A1 Preparation and Use of a Stable Formulation of Allosteric Effector Compounds PRKAA2, PDE7A, CHRM3 PPARA 128/4885HPGD 2265/4885PPARG 152/4885
US-20030232887-A1 Preparation and use of a stable formulation of allosteric effector compounds PRKAA2, PDE7A, CHRM5 PPARA 172/4885HPGD 2802/4885PPARG 159/4885

“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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