SCHEMBL6356958

SCHEMBL6356958

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ NLRP3 Q96P20 4/20 0.43
▸ HPGD P15428 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ RORC P51449 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ SCN10A Q9Y5Y9 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ PPARA Q07869 1/20 0.40

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 0.91 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL6355161 0.86 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
Efaproxiral SCHEMBL1649963 0.84 PPARA (0.54) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL6357894 0.84 RORC (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
Efaproxiral SCHEMBL3768310 0.83 PPARA (0.52) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL14341054 0.83 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL12998270 0.80 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL12998285 0.79 PPARA (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL8413212 0.79 KMT2A (0.46) MEN1KMT2ASMN1; SMN2LMNARAB9A
Efaproxiral SCHEMBL3763811 0.78 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1

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 4454/4885MEN1 4867/4885KMT2A 1425/4885
US-20050154062-A1 Substituted chiral allosteric hemoglobin modifiers HBZ, HBB, HBG2 ALDH1A1 4454/4885MEN1 4867/4885KMT2A 1425/4885

“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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