SCHEMBL8523372

SCHEMBL8523372

Cc1ccc(O[C@@H](C)C[C@@H](C)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ NLRP1 Q9C000 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ ACHE P22303 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MTNR1A P48039 2/20 0.38
▸ MTNR1B P49286 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ PPARG P37231 2/20 0.37
▸ PPARA Q07869 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ WDR5 P61964 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GAA P10253 1/20 0.35

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
SCHEMBL9869523 0.87 ACHE (0.44) MAPTKMT2AALDH1A1NLRP1MEN1
SCHEMBL1142445 0.84 MTNR1A (0.53) ALDH1A1MTNR1AMTNR1BPPARGPPARA
SCHEMBL29690390 0.83 KMT2A (0.42) MAPTKMT2AALDH1A1NLRP1MEN1
SCHEMBL14681578 0.82 LMNA (0.53) MAPTPOLBMTNR1AMTNR1BLMNA
SCHEMBL26603624 0.82 PPARG (0.45) MAPTKMT2AALDH1A1NLRP1MEN1
SCHEMBL1142634 0.82 LMNA (0.53) MAPTPOLBMTNR1AMTNR1BLMNA
SCHEMBL11327496 0.82 LMNA (0.53) MAPTPOLBMTNR1AMTNR1BLMNA
SCHEMBL14681530 0.82 LMNA (0.53) MAPTPOLBMTNR1AMTNR1BLMNA
SCHEMBL23586068 0.80 MTNR1A (0.46) MAPTKMT2AMEN1ACHEMTNR1A
SCHEMBL9869511 0.79 CYP1A2 (0.54) MAPTALDH1A1MTNR1AMTNR1BPPARG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2112136-B1 BIS(2-ALKOXYETHYL) AZODICARBOXYLATE ESTER COMPOUND AND INTERMEDIATE FOR PRODUCTION OF THE SAME TOYO BOSEKI (JP) 2012-05-23 — — EP disclosed
US-7947816-B2 Azodicarboxylic acid bis(2-alkoxyethyl) ester compound, and production intermediate thereof TOYO BOSEKI KABUSHIKI KAISHA (JP) 2011-05-24 — — US disclosed
US-20110028701-A1 AZODICARBOXYLIC ACID BIS(2-ALKOXYETHYL) ESTER COMPOUND, AND PRODUCTION INTERMEDIATE THEREOF TOYOBO MC CORPORATION (JP) 2011-02-03 — — 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-20110028701-A1 AZODICARBOXYLIC ACID BIS(2-ALKOXYETHYL) ESTER COMPOUND, AND PRODUCTION INTERMEDIATE THEREOF CPS1, MCCC2, PC MAPT 3032/4885KMT2A 2085/4885ALDH1A1 554/4885

“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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