SCHEMBL8026005

SCHEMBL8026005

CC(C)(C)c1ccc(C#Cc2ccc[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.46
RARG P13631 1/20 0.46
KIF11 P52732 1/20 0.39
ACACB O00763 3/20 0.36
TSHR P16473 1/20 0.34
LMNA P02545 2/20 0.33
TYR P14679 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
HDAC1 Q13547 1/20 0.32
MAOB P27338 1/20 0.30
AOC3 Q16853 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
NR2F2 P24468 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
DHPS P49366 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
SCHEMBL25413986 0.78 RARB (0.65) RARBRARGKIF11ACACBTSHR
SCHEMBL5820056 0.77 APP (0.55) SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL1797067 0.76 MCL1 (0.36) MAPT
SCHEMBL1086002 0.74 RARB (0.62) RARBRARGKIF11ACACBTSHR
SCHEMBL4178442 0.71 RARB (0.53) RARBRARGKIF11ACACBTSHR
SCHEMBL30877356 0.69 L3MBTL1 (0.36) HTTL3MBTL1
SCHEMBL12632209 0.69 RARB (0.44) RARBRARGKIF11ACACBTSHR
SCHEMBL28506019 0.69 RARB (0.55) RARBRARGKIF11ACACBTSHR
SCHEMBL29120758 0.68 RARB (0.46) RARBRARGKIF11ACACBTSHR
SCHEMBL5322451 0.68 RARB (0.53) RARBRARGKIF11ACACBTSHR

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-20080085893-A1 MATRIX METALLOPROTEASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-10 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-20080085893-A1 MATRIX METALLOPROTEASE INHIBITORS MMP3, MMP7, MMP9 RARB 2872/4885RARG 2813/4885KIF11 2583/4885

“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.