SCHEMBL6357894

SCHEMBL6357894

CCC(C)(Oc1ccc(CC(=O)Nc2cc(C)cc(Cl)c2)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 4/20 0.46
▸ OPRK1 P41145 1/20 0.45
▸ PPARA Q07869 2/20 0.43
▸ PPARG P37231 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ NLRP3 Q96P20 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ HPGD P15428 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ TP53 P04637 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 0.92 ALDH1A1 (0.45) RORCPPARAPPARGL3MBTL1ALDH1A1
SCHEMBL6356958 0.84 ALDH1A1 (0.44) RORCPPARAPPARGL3MBTL1ALDH1A1
SCHEMBL6355161 0.81 ALDH1A1 (0.46) L3MBTL1ALDH1A1SMN1; SMN2LMNANLRP3
SCHEMBL6556141 0.81 PPARA (0.61) RORCPPARAPPARGL3MBTL1ALDH1A1
Efaproxiral SCHEMBL1649963 0.79 PPARA (0.54) PPARAPPARGL3MBTL1ALDH1A1SMN1; SMN2
Efaproxiral SCHEMBL3768310 0.78 PPARA (0.52) RORCPPARAPPARGL3MBTL1ALDH1A1
SCHEMBL14341054 0.78 ALDH1A1 (0.51) L3MBTL1ALDH1A1SMN1; SMN2LMNANLRP3
SCHEMBL6357609 0.77 PPARA (0.48) RORCPPARAPPARGL3MBTL1ALDH1A1
SCHEMBL6357278 0.77 EPHX2 (0.52) RORCPPARAPPARGL3MBTL1ALDH1A1
SCHEMBL6357646 0.76 NLRP3 (0.55) ALDH1A1SMN1; SMN2LMNANLRP3HPGD

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 4 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
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

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 310/4885OPRK1 1230/4885PPARA 1742/4885
US-20050154062-A1 Substituted chiral allosteric hemoglobin modifiers HBZ, HBB, HBG2 RORC 310/4885OPRK1 1230/4885PPARA 1742/4885

“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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