SCHEMBL6103198

SCHEMBL6103198

[CH2]C(OC(C)=O)N1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
FDPS P14324 2/20 0.34
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
DPP7 Q9UHL4 1/20 0.32
MAPT P10636 3/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.31
PABPC1 P11940 1/20 0.30
APOBEC3A P31941 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
CHRNA1 P02708 1/20 0.30
CHRNG P07510 1/20 0.30
CHRNB1 P11230 1/20 0.30
CHRNB2 P17787 1/20 0.30
SLC6A2 P23975 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
SCHEMBL7710232 0.78 TSHR (0.39) TSHRFDPSALDH1A1KMT2AMEN1
SCHEMBL28287226 0.77 DPP7 (0.33) FDPSDPP7
SCHEMBL4192409 0.77 TSHR (0.42) TSHRFDPSALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL27915254 0.75 TSHR (0.41) TSHRFDPSALDH1A1KMT2AMEN1
SCHEMBL4187442 0.74 TSHR (0.44) TSHRFDPSALDH1A1KMT2AMEN1
SCHEMBL3765778 0.71 FDPS (0.38) FDPSALDH1A1KMT2AMEN1LMNA
SCHEMBL27874653 0.70 FDPS (0.31) FDPSALDH1A1KMT2AMEN1LMNA
Cyclohexane SCHEMBL1659384 0.69 TSHR (0.82) TSHRALDH1A1LMNAMAPTPABPC1
Cyclohexane SCHEMBL6963396 0.69 TSHR (0.82) TSHRALDH1A1LMNAMAPTPABPC1
SCHEMBL27933849 0.67

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-20060004084-A1 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-01-05 US claimed

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-20060004084-A1 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors CDK2, ERBB2, MAP3K3 TSHR 1653/4885FDPS 3013/4885ALDH1A1 1528/4885

“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.