SCHEMBL6557488

SCHEMBL6557488

CC(C)(Oc1ccc(CC(=O)Nc2ccccc2)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
ALDH1A1 P00352 1/20 0.59
MAPT P10636 1/20 0.59
EPHX2 P34913 1/20 0.59
PPARA Q07869 5/20 0.57
PPARG P37231 4/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
NPC1 O15118 2/20 0.57
HPGD P15428 1/20 0.57
GAA P10253 1/20 0.57
NLRP3 Q96P20 1/20 0.53
USP2 O75604 1/20 0.52
KLK7 P49862 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 1/20 0.51
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51

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
SCHEMBL806019 0.94 RAB9A (0.68) RAB9ASMN1; SMN2ALDH1A1MAPTEPHX2
SCHEMBL29079360 0.92 MEN1 (0.63) RAB9ASMN1; SMN2ALDH1A1MAPTEPHX2
SCHEMBL6558056 0.89 SMN1; SMN2 (0.58) RAB9ASMN1; SMN2ALDH1A1MAPTEPHX2
SCHEMBL29079320 0.89 CFD (0.56) SMN1; SMN2ALDH1A1MAPTPPARAPPARG
SCHEMBL6555975 0.88 PPARA (0.69) RAB9ASMN1; SMN2ALDH1A1MAPTPPARA
SCHEMBL6557438 0.88 PPARA (0.69) RAB9ASMN1; SMN2ALDH1A1MAPTPPARA
SCHEMBL6555962 0.88 GAA (0.64) RAB9ASMN1; SMN2ALDH1A1MAPTPPARA
SCHEMBL14345202 0.88 USP2 (0.56) RAB9ASMN1; SMN2ALDH1A1MAPTEPHX2
SCHEMBL12998281 0.87 HPGD (0.62) SMN1; SMN2ALDH1A1PPARAPPARGMEN1
SCHEMBL29079373 0.86 ALDH1A1 (0.55) RAB9ASMN1; SMN2ALDH1A1MAPTPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20070212302-A1 Preparation and Use of a Stable Formulation of Allosteric Effector Compounds ALLOS THERAPEUTICS, INC. (US) 2007-09-13 US disclosed
US-20070212302-A1 Preparation and Use of a Stable Formulation of Allosteric Effector Compounds ALLOS THERAPEUTICS, INC. (US) 2007-09-13 US 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-0585366-B1 USING ALLOSTERIC HEMOGLOBIN MODIFIERS TO DECREASE OXYGEN AFFINITY IN BLOOD UNIV VIRGINIA COMMONWEALTH (US) 2004-04-28 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-1236711-A2 Using allosteric hemoglobin modifiers to decrease oxygen affinity in blood Virginia Commonwealth University Intellectual Property Foundation, Inc. (US) 2002-09-04 EP disclosed
US-5927283-A TREATING DISEASES INVOLVING OXYGEN DEFICIENCY, IN WOUND HEALING, AND IN RESTORING OXYGEN AFFINITY OF STORED BLOOD. VIRGINIA COMMONWEALTH UNIVERSITY (US) 1999-07-27 US disclosed
US-5872282-A MAINTAIN OXYGEN AFFINITY IN BLOOD WHEN STORED VIRGINIA COMMONWEALTH UNIVERSITY (US) 1999-02-16 US disclosed
US-5731454-A Allosteric modifiers of hemoglobin useful for decreasing oxygen affinity and preserving oxygen carrying capability of stored blood VIRGINIA COMMONWEALTH UNIVERSITY (US) 1998-03-24 US 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
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 (1 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 RAB9A 2897/4885SMN1; SMN2 718/4885ALDH1A1 3307/4885

“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.