SCHEMBL5485218

SCHEMBL5485218

CCCCCCC(=O)Nc1ccc(OC(C)(C)C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ GAA P10253 1/20 0.57
▸ PPARG P37231 1/20 0.55
▸ PPARD Q03181 1/20 0.55
▸ PPARA Q07869 1/20 0.55
▸ SOAT2 O75908 1/20 0.53
▸ SOAT1 P35610 1/20 0.53
▸ HDAC8 Q9BY41 5/20 0.52
▸ HDAC3 O15379 3/20 0.52
▸ HDAC6 Q9UBN7 3/20 0.52
▸ HDAC1 Q13547 2/20 0.52
▸ HDAC2 Q92769 2/20 0.52
▸ HDAC4 P56524 1/20 0.52
▸ HDAC7 Q8WUI4 1/20 0.52
▸ HDAC10 Q969S8 1/20 0.52
▸ HDAC11 Q96DB2 1/20 0.52
▸ HDAC9 Q9UKV0 1/20 0.52
▸ HDAC5 Q9UQL6 1/20 0.52
▸ ENPP2 Q13822 1/20 0.52

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
SCHEMBL14977098 1.00 CNR1 (0.58) CNR1L3MBTL1GAAPPARGPPARD
SCHEMBL14977145 1.00 CNR1 (0.58) CNR1L3MBTL1GAAPPARGPPARD
SCHEMBL14977425 1.00 CNR1 (0.58) CNR1L3MBTL1GAAPPARGPPARD
SCHEMBL16302951 0.91 L3MBTL1 (0.56) CNR1L3MBTL1GAAPPARGPPARD
SCHEMBL16265104 0.83 CYP1A1 (0.55) L3MBTL1GAAPPARGPPARACA1
SCHEMBL16743655 0.83 PPARA (0.55) L3MBTL1GAAPPARGPPARDPPARA
SCHEMBL16302949 0.82 PSEN1 (0.49) CNR1PPARGPPARDPPARAPSEN1
SCHEMBL16743458 0.82 EPHX1 (0.63) PPARGPPARDPPARAHDAC1HDAC2
SCHEMBL8594554 0.82 EPHX2 (0.63) CNR1PPARGPPARACNR2
SCHEMBL18259440 0.82 CNR1 (0.68) CNR1L3MBTL1GAASOAT2SOAT1

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
EP-0585366-A4 USING ALLOSTERIC HEMOGLOBIN MODIFIERS TO DECREASE OXYGEN AFFINITY IN BLOOD. CT FOR INNOVATIVE TECHNOLOGY (US) 1994-03-17 — — EP disclosed
EP-0585366-A1 USING ALLOSTERIC HEMOGLOBIN MODIFIERS TO DECREASE OXYGEN AFFINITY IN BLOOD CENTER FOR INNOVATIVE TECHNOLOGY (US) 1994-03-09 — — EP 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
WO-1992020335-A1 USING ALLOSTERIC HEMOGLOBIN MODIFIERS TO DECREASE OXYGEN AFFINITY IN BLOOD CENTER FOR INNOVATIVE TECHNOLOGY (US) 1992-11-26 — — WO 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
US-5049695-A Substituted diphenyl carbamates CENTER FOR INNOVATIVE TECHNOLOGY (US) 1991-09-17 — — 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 (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 CNR1 414/4885L3MBTL1 4288/4885GAA 3769/4885
US-20030232887-A1 Preparation and use of a stable formulation of allosteric effector compounds PRKAA2, PDE7A, CHRM5 CNR1 482/4885L3MBTL1 4419/4885GAA 3578/4885

“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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