SCHEMBL6732982

SCHEMBL6732982

CC(C)CCn1c(=O)oc(=O)c2c(Br)cccc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
NPSR1 Q6W5P4 2/20 0.36
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PLK1 P53350 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
GRM2 Q14416 1/20 0.33
ELANE P08246 1/20 0.33
PDE2A O00408 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
TLR9 Q9NR96 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
SCHEMBL24054967 0.86 GRM2 (0.40) ALDH1A1NPSR1TSHRMAPK1KDM4E
SCHEMBL30198157 0.86 GRM2 (0.40) ALDH1A1NPSR1TSHRMAPK1KDM4E
SCHEMBL6738553 0.85 ELANE (0.44) ALDH1A1NPSR1TSHRMAPK1LMNA
SCHEMBL1522411 0.84 ALDH1A1 (0.40) ALDH1A1NPSR1TSHRMAPK1KDM4E
SCHEMBL5304933 0.84 ALDH1A1 (0.40) ALDH1A1NPSR1TSHRMAPK1LMNA
SCHEMBL15966769 0.81 ALDH1A1 (0.38) ALDH1A1NPSR1TSHRMAPK1LMNA
SCHEMBL6685071 0.78 TSHR (0.35) ALDH1A1NPSR1TSHRMAPK1KDM4E
SCHEMBL5308775 0.77 ALDH1A1 (0.55) ALDH1A1NPSR1TSHRMAPK1LMNA
SCHEMBL15966770 0.76 JAK2 (0.46) ALDH1A1LMNAKDM4EGRM2ELANE
SCHEMBL6234062 0.73 DNM1 (0.40) ALDH1A1NPSR1LMNASMN1; SMN2POLB

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-20040147739-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2004-07-29 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-20040147739-A1 Novel anti-infectives RPL5, RPL7, RPL35 ALDH1A1 1494/4885NPSR1 3358/4885TSHR 4433/4885

“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.