SCHEMBL6468896

SCHEMBL6468896

[CH2]CCOc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 15/20 0.67
L3MBTL1 Q9Y468 1/20 0.59
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
HTT P42858 1/20 0.57
HRH3 Q9Y5N1 1/20 0.53
LMNA P02545 1/20 0.50

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
SCHEMBL8672820 0.85 LTA4H (0.74) LTA4HL3MBTL1CYP1A2CYP2D6CYP2C9
SCHEMBL6474449 0.84 LMNA (0.62) LTA4HL3MBTL1CYP1A2CYP2C19LMNA
SCHEMBL2091073 0.83 LTA4H (0.60) LTA4HL3MBTL1CYP1A2CYP2D6CYP2C9
SCHEMBL53853 0.83 KCNA3 (0.67) LTA4H
SCHEMBL8773767 0.80 LTA4H (0.59) LTA4HL3MBTL1
SCHEMBL14356072 0.80 ALDH1A1 (0.69) LTA4HL3MBTL1CYP1A2CYP2D6CYP2C9
SCHEMBL9162686 0.80 LTA4H (0.67) LTA4HL3MBTL1CYP1A2CYP2D6CYP2C9
SCHEMBL3039068 0.80 LTA4H (0.67) LTA4HL3MBTL1CYP1A2CYP2D6CYP2C9
SCHEMBL7440978 0.80 L3MBTL1 (0.69) LTA4HL3MBTL1CYP1A2CYP2D6CYP2C9
SCHEMBL3046381 0.80 LTA4H (0.67) LTA4HL3MBTL1CYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107468-A1 Process for the preparation of an enantiomerically enriched thio compound DSM IP ASSETS B.V. (NL) 2005-05-19 US disclosed
EP-1453797-A1 PROCESS FOR THE PREPARATION OF AN ENANTIOMERICALLY ENRICHED THIO COMPOUND DSM IP Assets B.V. (NL) 2004-09-08 EP disclosed
EP-1325908-A1 Process for the preparation of an enantiomerically enriched thio compound DSM N.V. (NL) 2003-07-09 EP disclosed
WO-2003051827-A1 PROCESS FOR THE PREPARATION OF AN ENANTIOMERICALLY ENRICHED THIO COMPOUND DSM IP ASSETS B.V. (NL) 2003-06-26 WO disclosed
US-5723492-A LTA4 hydrolase inhibitor pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1998-03-03 US disclosed
US-5719306-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1998-02-17 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-20050107468-A1 Process for the preparation of an enantiomerically enriched thio compound SLC7A1, TCP1, TFRC LTA4H 1466/4885L3MBTL1 1903/4885CYP1A2 498/4885

“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.