SCHEMBL329019

SCHEMBL329019

O=C1C=CCCC=CCCC=CC1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
CA1 P00915 2/20 0.36
CA9 Q16790 2/20 0.36
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL329018 1.00 ALDH1A1 (0.48) ALDH1A1CA1CA9GSK3AGSK3B
SCHEMBL7178562 0.81 GSK3A (0.50) ALDH1A1CA1CA9GSK3AGSK3B
SCHEMBL7178558 0.81 GSK3A (0.50) ALDH1A1CA1CA9GSK3AGSK3B
SCHEMBL13113506 0.77
SCHEMBL5323960 0.73
SCHEMBL11206389 0.71 ALDH1A1 (0.48) ALDH1A1CA1CA9GSK3AGSK3B
SCHEMBL11207122 0.71 ALDH1A1 (0.48) ALDH1A1CA1CA9GSK3AGSK3B
SCHEMBL27757153 0.70 ALDH1A1 (0.54) ALDH1A1CA1CA9
SCHEMBL6625847 0.69
SCHEMBL24628 0.69

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-2407444-A2 Process for the preparation of dodecanedioic acid Invista Technologies S.a r.l. (CH) 2012-01-18 EP disclosed
EP-2257516-A2 METHODS OF MAKING CYCLODODECATRIENE AND METHODS OF MAKING LAUROLACTONE Invista Technologies S.à.r.l. (CH) 2010-12-08 EP disclosed
WO-2009117498-A2 METHODS OF MAKING CYCLODODECATRIENE AND METHODS OF MAKING LAUROLACTONE INVISTA TECHNOLOGIES S.A R.L. (CH) 2009-09-24 WO disclosed
US-20090240068-A1 METHODS OF MAKING CYCLODODECATRIENE AND METHODS OF MAKING LAUROLACTONE INVISTA NORTH AMERICA S.A.R.L. (US) 2009-09-24 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-20090240068-A1 METHODS OF MAKING CYCLODODECATRIENE AND METHODS OF MAKING LAUROLACTONE SCD, DHCR7, LIPA ALDH1A1 1889/4885CA1 2831/4885CA9 1563/4885

“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.