SCHEMBL6357895

SCHEMBL6357895

Cc1cc(C)cc(NC(=O)Cc2ccc(OC3(C(=O)O)CCOCC3)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.49
POLB P06746 2/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NLRP3 Q96P20 2/20 0.42
MAPT P10636 1/20 0.41
USP2 O75604 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
SCHEMBL6358103 0.91 ALDH1A1 (0.45) RORCPOLBALDH1A1KDM4EHPGD
SCHEMBL8412728 0.90 ALDH1A1 (0.44) RORCPOLBALDH1A1KDM4EHPGD
SCHEMBL6362031 0.83 ALDH1A1 (0.41) POLBALDH1A1KDM4EHPGDKMT2A
SCHEMBL6358099 0.81 ALDH1A1 (0.39) RORCPOLBALDH1A1KDM4EHPGD
SCHEMBL6362873 0.80 ALDH1A1 (0.40) RORCPOLBALDH1A1KDM4EHPGD
SCHEMBL6358821 0.80 CTSK (0.44) POLBALDH1A1KDM4EHPGDKMT2A
SCHEMBL6362871 0.78 ALDH1A1 (0.39) POLBALDH1A1KDM4EHPGDKMT2A
SCHEMBL6359207 0.78 ALDH1A1 (0.39) POLBALDH1A1KDM4EHPGDKMT2A
SCHEMBL8861298 0.78 ALDH1A1 (0.46) RORCPOLBALDH1A1KDM4EHPGD
SCHEMBL6357186 0.78 ALDH1A1 (0.41) RORCPOLBALDH1A1KDM4EHPGD

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 RORC 310/4885POLB 4679/4885ALDH1A1 4454/4885
US-20050154062-A1 Substituted chiral allosteric hemoglobin modifiers HBZ, HBB, HBG2 RORC 310/4885POLB 4679/4885ALDH1A1 4454/4885

“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.