SCHEMBL3626503

SCHEMBL3626503

[CH2]OC1Oc2ccccc2O1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.36
ABCG2 Q9UNQ0 1/20 0.32
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
NISCH Q9Y2I1 2/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL446185 0.75 ABCG2 (0.36) CA2ABCG2ITGB2ICAM1ITGAL
SCHEMBL6619829 0.74 CA2 (0.36) CA2ABCG2ITGB2ICAM1ITGAL
SCHEMBL3625885 0.73 CA2 (0.37) CA2
SCHEMBL448546 0.69 NISCH (0.44) CA2ABCG2NISCH
SCHEMBL6489987 0.69 CA2 (0.37) CA2
SCHEMBL21624268 0.69 LMNA (0.35) CA2NISCHMAOAMAOB
SCHEMBL28504425 0.69 CA2 (0.33) CA2NISCHMAOAMAOB
SCHEMBL11549002 0.69 CA2 (0.37) CA2
SCHEMBL11034100 0.66 POLB (0.46) CA2
SCHEMBL6002972 0.64 HPGD (0.41) CA2NISCHMAOAMAOB

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
US-7829585-B2 Antifungal agent containing pyridine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-11-09 US disclosed
US-20090062348-A1 Antifungal Agent Containing Pyridine Derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-03-05 US disclosed
EP-1864980-A1 ANTIFUNGAL AGENT CONTAINING PYRIDINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2007-12-12 EP 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-20090062348-A1 Antifungal Agent Containing Pyridine Derivative ERG28, SQOR, CYP51A1 CA2 1156/4885ABCG2 121/4885ITGB2 3875/4885

“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.