SCHEMBL12560739

SCHEMBL12560739

C/C=C\O[C@H]1O[C@@H]2COC(C)(C)O[C@H]2[C@H](O)[C@H]1NC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PKM P14618 1/20 0.36
▸ KMT2A Q03164 1/20 0.34
▸ CA1 P00915 3/20 0.31
▸ CA2 P00918 3/20 0.31
▸ CA9 Q16790 1/20 0.30
▸ THRB P10828 1/20 0.30

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
SCHEMBL12601164 0.90 ASGR1 (0.33) ALDH1A1L3MBTL1PKM
SCHEMBL10209192 0.84 ALDH1A1 (0.40) ALDH1A1L3MBTL1PKMKMT2ACA1
SCHEMBL12560770 0.82 MAPK1 (0.40) ALDH1A1L3MBTL1PKMKMT2ACA1
SCHEMBL7567193 0.80 ALDH1A1 (0.36) ALDH1A1L3MBTL1PKMKMT2ACA1
SCHEMBL7886992 0.80 ALDH1A1 (0.36) ALDH1A1L3MBTL1PKMKMT2ACA1
SCHEMBL7889397 0.80 ALDH1A1 (0.36) ALDH1A1L3MBTL1PKMKMT2ACA1
SCHEMBL12560736 0.79 MAPK1 (0.40) L3MBTL1KMT2A
SCHEMBL12391259 0.79 KMT2A (0.47) ALDH1A1L3MBTL1PKMKMT2ACA1
SCHEMBL2503399 0.79 KMT2A (0.47) ALDH1A1L3MBTL1PKMKMT2ACA1
SCHEMBL16367194 0.79 KMT2A (0.47) ALDH1A1L3MBTL1PKMKMT2ACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399634-B2 Reagents and methods for preparing LPS antagonist B1287 and stereoisomers thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 — — US disclosed
US-20110152508-A1 REAGENTS AND METHODS FOR PREPARING LPS ANTAGONIST B1287 AND STEREOISOMERS THEREOF EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-23 — — 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-20110152508-A1 REAGENTS AND METHODS FOR PREPARING LPS ANTAGONIST B1287 AND STEREOISOMERS THEREOF LTB4R2, LTB4R, LITAF ALDH1A1 3887/4885L3MBTL1 94/4885PKM 4607/4885

“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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