SCHEMBL5095221

SCHEMBL5095221

CCCCCCC#C/C=C\C#Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
MMP2 P08253 1/20 0.39
MMP12 P39900 1/20 0.39
KCNH2 Q12809 5/20 0.37
HMGCR P04035 2/20 0.36
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
TLR8 Q9NR97 1/20 0.33
KIF11 P52732 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
SCHEMBL5095222 1.00 FFAR1 (0.40) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL5092667 0.88 FFAR1 (0.48) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL5092657 0.88 FFAR1 (0.48) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL5092664 0.85 GRM5 (0.40) FFAR1FFAR4KCNH2TLR8
SCHEMBL5092655 0.85 GRM5 (0.40) FFAR1FFAR4KCNH2TLR8
SCHEMBL5095343 0.83 FFAR1 (0.44) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL5095348 0.83 FFAR1 (0.44) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL5092719 0.81 TSHR (0.46) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL5092713 0.81 TSHR (0.46) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL3940735 0.80 FFAR1 (0.43) FFAR1FFAR4MMP2MMP12KCNH2

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
US-7332623-B2 Aryl-substituted acyclic enediyne compounds KAOHSIUNG MEDICAL UNIVERSITY (TW) 2008-02-19 US disclosed
US-20050004212-A1 Aryl-substituted acyclic enediyne compounds KAOHSIUNG MEDICAL UNIVERSITY 2005-01-06 US disclosed
US-20050004211-A1 Pharmaceutical compositions comprising aryl-substituted acyclic enediyne compounds KAOHSIUNG MEDICAL UNIVERSITY 2005-01-06 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 (2 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-20050004211-A1 Pharmaceutical compositions comprising aryl-substituted acyclic enediyne compounds CCNI, TOP1, TOP2B FFAR1 1438/4885FFAR4 3707/4885MMP2 667/4885
US-20050004212-A1 Aryl-substituted acyclic enediyne compounds CCNI, TOP2B, TOP2A FFAR1 1803/4885FFAR4 3818/4885MMP2 907/4885

“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.