SCHEMBL14895451

SCHEMBL14895451

O=C1OCC(C(O)Cc2ccccc2)O1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
PKM P14618 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALPI P09923 1/20 0.35
PTGS1 P23219 1/20 0.35
XIAP P98170 1/20 0.35
SLC7A5 Q01650 1/20 0.35
CYP2C19 P33261 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
SCHEMBL14895058 0.81 HTT (0.44) HTT
SCHEMBL16463249 0.79 HPGD (0.41) CYP1A2HPGDHTTALDH1A1MEN1
SCHEMBL16463252 0.79 HPGD (0.41) CYP1A2HPGDHTTALDH1A1MEN1
SCHEMBL28337648 0.78 CYP1A2 (0.41) CYP1A2PKMALPIPTGS1XIAP
SCHEMBL12036068 0.78 CYP1A2 (0.41) CYP1A2PKMALPIPTGS1XIAP
SCHEMBL2225629 0.78 CYP1A2 (0.41) CYP1A2PKMALPIPTGS1XIAP
SCHEMBL2225625 0.78 CYP1A2 (0.41) CYP1A2PKMALPIPTGS1XIAP
SCHEMBL1511639 0.78 CYP1A2 (0.41) CYP1A2PKMALPIPTGS1XIAP
SCHEMBL17866915 0.75 PKM (0.39) CYP1A2PKMALDH1A1ALPIPTGS1
SCHEMBL29312988 0.74 LMNA (0.39)

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
EP-2771315-B1 METHOD FOR PREPARING A COMPOUND COMPRISING AT LEAST ONE beta-HYDROXY-URETHANE UNIT AND/OR AT LEAST ONE gamma-HYDROXY-URETHANE UNIT SOCIÉTÉ D EXPL GÉNÉRALE DE PRODUITS IND S E G SAS (FR) 2016-04-13 EP disclosed
US-20140378648-A1 METHOD FOR PREPARING A COMPOUND COMPRISING AT LEAST ONE BETA-HYDROXY-URETHANE UNIT AND/OR AT LEAST ONE UPSILON-HYDROXY-URETHANE UNIT SOULES AURÉLIEN (FR) 2014-12-25 US disclosed
EP-2771315-A1 METHOD FOR PREPARING A COMPOUND COMPRISING AT LEAST ONE beta-HYDROXY-URETHANE UNIT AND/OR AT LEAST ONE gamma-HYDROXY-URETHANE UNIT Societe d'Exploitation Generale de Produits Industriels - S.E.G (SAS) (FR) 2014-09-03 EP disclosed
WO-2013060950-A1 METHOD FOR PREPARING A COMPOUND COMPRISING AT LEAST ONE β-HYDROXY-URETHANE UNIT AND/OR AT LEAST ONE ϒ-HYDROXY-URETHANE UNIT SOCIETE D'EXPLOITATION GENERALE DE PRODUITS INDUSTRIELS - S.E.G. (SAS) (FR) 2013-05-02 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 (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-20140378648-A1 METHOD FOR PREPARING A COMPOUND COMPRISING AT LEAST ONE BETA-HYDROXY-URETHANE UNIT AND/OR AT LEAST ONE UPSILON-HYDROXY-URETHANE UNIT OTUB1, UCHL1, UBE2E1 CYP1A2 852/4885HPGD 1201/4885HTT 99/4885

“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.