SCHEMBL4876453

SCHEMBL4876453

O=C(O)C(I)c1cccc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.51
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49
APH1A Q96BI3 1/20 0.49
PSENEN Q9NZ42 1/20 0.49
DHODH Q02127 1/20 0.49
KIF11 P52732 3/20 0.49
FFAR1 O14842 3/20 0.47
PTPN5 P54829 2/20 0.47
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
MGLL Q99685 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43

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
SCHEMBL4884591 0.82 DHODH (0.52) HDAC4PSEN1PSEN2APH1BNCSTN
SCHEMBL6270587 0.82 AKR1C3 (0.63) HDAC4PSEN1PSEN2APH1BNCSTN
SCHEMBL6477785 0.81 PSEN1 (0.54) HDAC4PSEN1PSEN2APH1BNCSTN
SCHEMBL6475463 0.79 PSEN1 (0.59) HDAC4PSEN1PSEN2APH1BNCSTN
SCHEMBL6477508 0.78 PSEN1 (0.54) HDAC4PSEN1PSEN2APH1BNCSTN
SCHEMBL6473844 0.78 PSEN1 (0.52) HDAC4PSEN1PSEN2APH1BNCSTN
SCHEMBL6476353 0.77 FFAR1 (0.54) HDAC4PSEN1PSEN2APH1BNCSTN
SCHEMBL6472628 0.77 PSEN1 (0.63) HDAC4PSEN1PSEN2APH1BNCSTN
SCHEMBL6472632 0.77 PSEN1 (0.63) HDAC4PSEN1PSEN2APH1BNCSTN
SCHEMBL6472107 0.77 PSEN1 (0.79) HDAC4PSEN1PSEN2APH1BNCSTN

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-20080300261-A1 Arylacetic Acids and Related Compounds for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LTD. (GB) 2008-12-04 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-20080300261-A1 Arylacetic Acids and Related Compounds for Treatment of Alzheimer's Disease PSEN2, PSEN1, NAT1 HDAC4 1153/4885PSEN1 2/4885PSEN2 1/4885

“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.