SCHEMBL5481310

SCHEMBL5481310

CCCCCCNC(=O)c1ccc(OC(C)(C)C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 4/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ PPARG P37231 2/20 0.61
▸ FABP2 P12104 1/20 0.61
▸ PPARD Q03181 1/20 0.61
▸ NAAA Q02083 2/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ MLYCD O95822 1/20 0.58
▸ NPC1 O15118 3/20 0.57
▸ RAB9A P51151 3/20 0.57
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ MAPT P10636 1/20 0.56
▸ PSEN1 P49768 2/20 0.54
▸ PSEN2 P49810 2/20 0.54
▸ APH1B Q8WW43 2/20 0.54
▸ NCSTN Q92542 2/20 0.54
▸ APH1A Q96BI3 2/20 0.54
▸ PSENEN Q9NZ42 2/20 0.54

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
SCHEMBL24119885 0.84 MLYCD (0.68) ALDH1A1SMN1; SMN2NAAAL3MBTL1MLYCD
SCHEMBL9760648 0.83 MGLL (0.63) —
SCHEMBL16743458 0.82 EPHX1 (0.63) PPARAALDH1A1PPARGPPARDKMT2A
SCHEMBL11754794 0.82 NPC1 (0.69) PPARAALDH1A1SMN1; SMN2PPARGFABP2
SCHEMBL9265536 0.81 L3MBTL1 (0.86) ALDH1A1SMN1; SMN2NAAAL3MBTL1MLYCD
SCHEMBL6535660 0.81 L3MBTL1 (0.86) ALDH1A1SMN1; SMN2NAAAL3MBTL1MLYCD
SCHEMBL9504178 0.81 L3MBTL1 (0.86) ALDH1A1SMN1; SMN2NAAAL3MBTL1MLYCD
SCHEMBL845966 0.81 L3MBTL1 (0.86) ALDH1A1SMN1; SMN2NAAAL3MBTL1MLYCD
SCHEMBL30527282 0.81 L3MBTL1 (0.86) ALDH1A1SMN1; SMN2NAAAL3MBTL1MLYCD
SCHEMBL10481026 0.81 L3MBTL1 (0.86) ALDH1A1SMN1; SMN2NAAAL3MBTL1MLYCD

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 20 patents. 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-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
US-20030017612-A1 Methods and reagents to acquire MRI signals and images ALLOS THERAPEUTICS, INC. 2003-01-23 — — US disclosed
WO-2002068930-A2 METHODS AND REAGENTS TO ACQUIRE MRI SIGNALS AND IMAGES ALLOS THERAPEUTICS, INC. (US) 2002-09-06 — — WO 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
US-5705521-A Use of allosteric hemoglobin modifiers in combination with radiation therapy to treat carcinogenic tumors THE CENTER FOR INNOVATIVE TECHNOLOGY (US) 1998-01-06 — — US disclosed
US-5677330-A THERAPY HYPOXIA, HYPOTHERMIA, ISCHEMIC, WOUNDS, ULCERS, TISSUE TRANSPLANTS, SESPIS THE CENTER FOR INNOVATIVE TECHNOLOGY (US) 1997-10-14 — — US disclosed
WO-1997034594-A2 USE OF ALLOSTERIC HAEMOGLOBIN MODIFIER FOR TREATING SOLID TUMORS AND INHIBITING TUMOR METASTASES DANA-FARBER CANCER INSTITUTE (US) 1997-09-25 — — WO disclosed
US-5591892-A CARBOXYALKOXYPHENYL SUBSTITUTED INDANES CENTER FOR INNOVATIVE TECHNOLOGY (US) 1997-01-07 — — US disclosed
US-5432191-A Ring-substituted phenoxymethyl /or substituted methyl/ carboxylates THE CENTER FOR INNOVATIVE TECHNOLOGY (US) 1995-07-11 — — 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20030017612-A1 Methods and reagents to acquire MRI signals and images TBXA2R, BID, RXFP2 PPARA 1735/4885ALDH1A1 4399/4885SMN1; SMN2 2227/4885
US-20070212302-A1 Preparation and Use of a Stable Formulation of Allosteric Effector Compounds PRKAA2, PDE7A, CHRM3 PPARA 128/4885ALDH1A1 3307/4885SMN1; SMN2 718/4885
US-20030232887-A1 Preparation and use of a stable formulation of allosteric effector compounds PRKAA2, PDE7A, CHRM5 PPARA 172/4885ALDH1A1 3620/4885SMN1; SMN2 579/4885

“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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