SCHEMBL4920199

SCHEMBL4920199

Fc1cc2c(c(F)c1Br)OCCC2

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.33
NOTUM Q6P988 1/20 0.31
HTR1A P08908 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
SCHEMBL30748852 0.76 PARP1 (0.33) PARP1NOTUMHTR1A
SCHEMBL15635817 0.76 PARP1 (0.33) PARP1NOTUMHTR1A
SCHEMBL25166593 0.76 PARP1 (0.34) PARP1NOTUM
SCHEMBL30888596 0.75 NOTUM (0.32) PARP1NOTUM
SCHEMBL31550049 0.73 PARP1 (0.33) PARP1NOTUM
SCHEMBL14824890 0.73 PARP1 (0.33) PARP1NOTUMHTR1A
SCHEMBL4924693 0.73 HTR2A (0.32) HTR1A
SCHEMBL1142943 0.73 PARP1 (0.37) PARP1NOTUMHTR1A
SCHEMBL25166676 0.73 HTR2A (0.32) HTR1A
SCHEMBL1142545 0.72 CTNNB1 (0.34) PARP1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080020148-A1 Chromane Derivatives Method for Production and the Use Thereof MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-01-24 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-20080020148-A1 Chromane Derivatives Method for Production and the Use Thereof C1S, CHRM1, C1R PARP1 4676/4885NOTUM 1634/4885HTR1A 352/4885

“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.