SCHEMBL4889104

SCHEMBL4889104

ON=C1CCc2cc(-c3ccc(C(F)(F)F)cc3)ccc2C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 2/20 0.47
KIF11 P52732 11/20 0.44
ASIC3 Q9UHC3 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
BRAF P15056 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 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
SCHEMBL4889102 1.00 TDP2 (0.47) TDP2KIF11ASIC3ESR1ESR2
SCHEMBL30996923 0.77 HSD17B1 (0.42) TDP2KIF11ASIC3ESR1ESR2
SCHEMBL4893296 0.76 TDP2 (0.57) TDP2KIF11ASIC3CHRNB2CHRNA4
SCHEMBL1479810 0.75 TDP2 (0.68) TDP2KIF11ASIC3ESR1ESR2
SCHEMBL5378351 0.74 NPC1 (0.33) CA1CA2
SCHEMBL5378345 0.74 NPC1 (0.33) CA1CA2
SCHEMBL29187397 0.72 HSD17B1 (0.44) TDP2KIF11ASIC3ESR1ESR2
SCHEMBL30996924 0.72 HSD17B1 (0.44) TDP2KIF11ESR1ESR2BRAF
SCHEMBL8883867 0.70 ASIC3 (0.42) TDP2ASIC3
SCHEMBL4151074 0.70 ASIC3 (0.42) TDP2ASIC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US claimed
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 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-20080176830-A1 Compounds, Compositions, and Methods ALPP, PCNA, MKI67 TDP2 1033/4885KIF11 562/4885ASIC3 4725/4885

“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.