SCHEMBL12998285

SCHEMBL12998285

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 2/20 0.53
▸ ABCB11 O95342 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ HTR2A P28223 1/20 0.53
▸ PMP22 Q01453 1/20 0.53
▸ RORC P51449 2/20 0.48
▸ NLRP3 Q96P20 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ LMNA P02545 1/20 0.45
▸ FBP1 P09467 1/20 0.45
▸ HPGD P15428 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ MEN1 O00255 1/20 0.43

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
SCHEMBL12998270 0.86 ALDH1A1 (0.48) NLRP3ALDH1A1SMN1; SMN2LMNAHPGD
Efaproxiral SCHEMBL1649963 0.86 PPARA (0.54) PPARACYP1A2CYP3A4NLRP3ALDH1A1
Efaproxiral SCHEMBL3768310 0.85 PPARA (0.52) PPARACYP1A2CYP3A4RORCNLRP3
SCHEMBL14341054 0.85 ALDH1A1 (0.51) NLRP3ALDH1A1SMN1; SMN2LMNAHPGD
Efaproxiral SCHEMBL3763811 0.84 ALDH1A1 (0.49) NLRP3ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL16861099 0.84 MEN1 (0.42) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL16861085 0.82 MAPK1 (0.41) RORCNLRP3ALDH1A1SMN1; SMN2LMNA
SCHEMBL6353457 0.81 ALDH1A1 (0.45) PPARARORCNLRP3ALDH1A1SMN1; SMN2
SCHEMBL6357176 0.81 ALDH1A1 (0.44) PPARANLRP3ALDH1A1SMN1; SMN2LMNA
SCHEMBL6357197 0.79 PPARA (0.51) PPARAABCB11CYP1A2CYP3A4TSHR

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-7847120-B2 Compositions of allosteric hemoglobin modifiers and methods of making the same VIRGINIA COMMONWEALTH UNIVERSITY INTELLECTUAL PROPERTY FOUNDATION (US) 2010-12-07 — — US disclosed
US-7847120-B2 Compositions of allosteric hemoglobin modifiers and methods of making the same VIRGINIA COMMONWEALTH UNIVERSITY INTELLECTUAL PROPERTY FOUNDATION (US) 2010-12-07 — — US disclosed
US-20070293698-A1 Compositions of Allosteric Hemoglobin Modifiers and Methods of Making the Same ALLOS THERAPEUTICS, INC. (US) 2007-12-20 — — US disclosed
US-20070293698-A1 Compositions of Allosteric Hemoglobin Modifiers and Methods of Making the Same ALLOS THERAPEUTICS, INC. (US) 2007-12-20 — — 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 (1 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-20070293698-A1 Compositions of Allosteric Hemoglobin Modifiers and Methods of Making the Same HBB, HBZ, HBG2 PPARA 1401/4885ABCB11 4807/4885CYP1A2 2293/4885

“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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