SCHEMBL6355161

SCHEMBL6355161

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MAPT P10636 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ NLRP3 Q96P20 3/20 0.43
▸ SCN10A Q9Y5Y9 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MAPK10 P53779 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 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
SCHEMBL6353457 0.88 ALDH1A1 (0.45) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL6356958 0.86 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPTMEN1KMT2A
Efaproxiral SCHEMBL1649963 0.84 PPARA (0.54) ALDH1A1L3MBTL1MAPTMEN1KMT2A
Efaproxiral SCHEMBL3768310 0.83 PPARA (0.52) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL14341054 0.83 ALDH1A1 (0.51) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL6357894 0.81 RORC (0.46) ALDH1A1L3MBTL1MEN1KMT2ASMN1; SMN2
Efaproxiral SCHEMBL3763811 0.80 ALDH1A1 (0.49) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL12998270 0.80 ALDH1A1 (0.48) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL12998285 0.77 PPARA (0.53) ALDH1A1L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL6357176 0.76 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPTMEN1KMT2A

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 ALDH1A1 4454/4885L3MBTL1 516/4885MAPT 4231/4885
US-20050154062-A1 Substituted chiral allosteric hemoglobin modifiers HBZ, HBB, HBG2 ALDH1A1 4454/4885L3MBTL1 516/4885MAPT 4231/4885

“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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