SCHEMBL6358099

SCHEMBL6358099

Cc1cc(C)cc(NC(=O)Cc2ccc(OC3(C(=O)O)CCCC(C)C3)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
NLRP3 Q96P20 4/20 0.38
MAPT P10636 2/20 0.38
USP2 O75604 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
RORC P51449 1/20 0.37
ACKR3 P25106 1/20 0.37

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
SCHEMBL6362031 0.94 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL6353569 0.88 MAPT (0.40) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL6358103 0.88 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL8412728 0.87 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL6357186 0.83 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL6358100 0.83 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL6357895 0.81 RORC (0.49) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL6358821 0.79 CTSK (0.44) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL6362032 0.78 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL6362871 0.77 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDMEN1KMT2A

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 4454/4885KDM4E 809/4885HPGD 1583/4885
US-20050154062-A1 Substituted chiral allosteric hemoglobin modifiers HBZ, HBB, HBG2 ALDH1A1 4454/4885KDM4E 809/4885HPGD 1583/4885

“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.