SCHEMBL4891673

SCHEMBL4891673

Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1C(O)C(Cl)C(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1CO

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 3/20 0.43
KIF11 P52732 8/20 0.41
HDAC1 Q13547 3/20 0.36
TRPV1 Q8NER1 1/20 0.34
RIPK1 Q13546 1/20 0.34
KCNH2 Q12809 1/20 0.33
MCHR1 Q99705 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGES O14684 1/20 0.33
AAK1 Q2M2I8 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
SCHEMBL4891667 0.77 HDAC2 (0.47) HDAC2KIF11HDAC1HDAC3PTGS1
SCHEMBL4898792 0.73 KIF11 (0.48) HDAC2KIF11HDAC1
SCHEMBL3901609 0.71 KIF11 (0.50) HDAC2KIF11
SCHEMBL5521041 0.67 KIF11 (0.71) KIF11
SCHEMBL4659870 0.65 KIF11 (0.56) KIF11TRPV1
SCHEMBL5433350 0.64 KIF11 (0.78) HDAC2KIF11PTGS1AAK1
SCHEMBL4044366 0.64 MEN1 (0.45) KIF11
SCHEMBL7388602 0.63 ALDH1A1 (0.47) HDAC1
SCHEMBL5937215 0.62 RXRA (0.50) KIF11
SCHEMBL11874548 0.61 ALDH1A1 (0.52) HDAC2KIF11HDAC1HDAC3PTGS1

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-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 HDAC2 1216/4885KIF11 562/4885HDAC1 201/4885

“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.