SCHEMBL4622007

SCHEMBL4622007

COc1ccc([C@@H]2O[C@H]2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA12 O43570 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
MAOA P21397 2/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
PTGS2 P35354 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM1A O60341 2/20 0.45
MAOB P27338 1/20 0.45
CA4 P22748 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
SCHEMBL4622004 1.00 CA1 (0.50) CA1CA2CA12CA7CA9
SCHEMBL4622000 1.00 CA1 (0.50) CA1CA2CA12CA7CA9
SCHEMBL31255971 0.98 CA12 (0.48) CA1CA2CA12CA7CA9
SCHEMBL11686766 0.86 CA1 (0.55) CA1CA2CA12CA7CA9
SCHEMBL4158886 0.83 PTAFR (0.37) SLC6A2SLC6A3PTAFR
SCHEMBL9420903 0.82 CYP2A6 (0.53) CA1CA12CA7CA9CA14
SCHEMBL20215838 0.80 CA12 (0.48) CA1CA2CA12CA7CA9
SCHEMBL11183231 0.77 ALDH1A1 (0.50) MEN1ALDH1A1KMT2APTAFR
SCHEMBL11162641 0.77 HTR2C (0.50) CA1CA2CA7CA9NPC1
SCHEMBL29424037 0.77 GABRA1 (0.48) CA1CA2CA12CA7CA9

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-1683791-B1 Process for the epoxidation of olefins with hydrogen peroxide by ruthenium complex catalysed reaction SALTIGO GMBH (DE) 2008-04-02 EP disclosed
CN-1817871-A Process for the ruthenium-catalyzed epoxidation of olefins with the aid of hydrogen peroxide LANXESS DEUTSCHLAND GMBH (DE) 2006-08-16 CN disclosed
EP-1683791-A1 Process for the epoxidation of olefins with hydrogen peroxide by ruthenium complex catalysed reaction Lanxess Deutschland GmbH (DE) 2006-07-26 EP disclosed
US-20060161011-A1 Process for the ruthenium-catalysed epoxidation of olefins by means of hydrogen peroxide LANXESS DEUTSCHLAND GMBH (DE) 2006-07-20 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-20060161011-A1 Process for the ruthenium-catalysed epoxidation of olefins by means of hydrogen peroxide PPOX, HAO2, GPX4 CA1 2659/4885CA2 3036/4885CA12 2804/4885

“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.