SCHEMBL4959854

SCHEMBL4959854

O=C(O)C1(C(=O)O)Oc2cc(F)cc(Br)c2O1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 1/20 0.32
PKM P14618 1/20 0.32
RIPK1 Q13546 1/20 0.30
P2RY6 Q15077 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL4964579 0.79 MCL1 (0.38)
SCHEMBL8229101 0.71 ALDH1A1 (0.33) ALDH1A1
SCHEMBL23835427 0.65 CYP3A4 (0.34)
SCHEMBL23835426 0.63 LDHA (0.36)
SCHEMBL23835428 0.63 LDHA (0.36)
SCHEMBL4960494 0.62 P2RY6 (0.38) RIPK1P2RY6
SCHEMBL15039735 0.61 MEN1 (0.41) RIPK1P2RY6ALDH1A1
SCHEMBL4960886 0.60 P2RY6 (0.32) RIPK1P2RY6ALDH1A1
SCHEMBL4633534 0.60 LMNA (0.41) ALDH1A1
SCHEMBL286599 0.59 KDM4E (0.41) GPR17PKMALDH1A1

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
EP-1871759-A1 BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 EP disclosed
WO-2006116158-A1 BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO disclosed
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2006-10-26 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-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof HTR2C, HTR1D, HTR1A GPR17 407/4885PKM 1757/4885RIPK1 4252/4885

“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.