SCHEMBL4948115

SCHEMBL4948115

O=C(O)N1CC=C(c2cccc(OC(F)(F)F)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.52
MMP3 P08254 1/20 0.52
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.45
LIMK1 P53667 1/20 0.45
LIMK2 P53671 1/20 0.45
SLC6A7 Q99884 1/20 0.44
NOTUM Q6P988 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CCNT1 O60563 1/20 0.42
CDK9 P50750 1/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
DHODH Q02127 1/20 0.42

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
SCHEMBL21381664 0.88 MMP2 (0.44) MMP2MMP3SLC6A7NOTUMDHODH
SCHEMBL4949303 0.86 TRPV1 (0.45) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL27670422 0.86 MMP2 (0.44) MMP2MMP3ALDH1A1SMN1; SMN2MEN1
SCHEMBL13993114 0.85 PDK4 (0.53) MMP2MMP3LIMK1LIMK2
SCHEMBL6772949 0.84 TDP1 (0.55) MMP2MMP3ALDH1A1SMN1; SMN2MEN1
SCHEMBL2930491 0.81 CCR2 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL25238014 0.80 NOTUM (0.44) MMP2MMP3SLC6A7NOTUMDHODH
SCHEMBL5535792 0.80 MMP2 (0.50) MMP2MMP3CCNT1CDK9HRH3
SCHEMBL5535785 0.80 MMP2 (0.48) MMP2MMP3SLC6A7CCNT1CDK9
SCHEMBL5373499 0.79 MAPT (0.55) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1

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-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators ASTRAZENECA AB (SE) 2008-12-25 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-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators GRM2, GRM1, GRIN2B MMP2 4608/4885MMP3 4209/4885ALDH1A1 1887/4885

“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.