SCHEMBL12537183

SCHEMBL12537183

CCC[C@H](NC(C)=O)C(=O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ NFKB1 P19838 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ THPO P40225 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SIRT6 Q8N6T7 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ PLA2G2C Q5R387 1/20 0.34

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
SCHEMBL12537158 0.83 ALDH1A1 (0.47) ALDH1A1NFKB1KDM4EMAPTTHRB
SCHEMBL19486079 0.83 ALDH1A1 (0.47) ALDH1A1NFKB1KDM4EMAPTTHRB
SCHEMBL14131182 0.82 CYP2C9 (0.41) ALDH1A1NFKB1HDAC7HDAC8HDAC6
SCHEMBL12673071 0.82 NFKB1 (0.44) ALDH1A1NFKB1KDM4EMAPTTHRB
SCHEMBL10308608 0.82 ALDH1A1 (0.42) ALDH1A1NFKB1KDM4EMAPTTHRB
SCHEMBL12537111 0.82 ALDH1A1 (0.42) ALDH1A1NFKB1KDM4EMAPTTHRB
SCHEMBL13122874 0.82 CYP2C9 (0.41) ALDH1A1NFKB1HDAC7HDAC8HDAC6
SCHEMBL12537175 0.81 TSHR (0.50) ALDH1A1NFKB1KDM4EMAPTTHRB
SCHEMBL14111179 0.80 NFKB1 (0.45) ALDH1A1NFKB1KDM4EMAPTTHRB
SCHEMBL12661040 0.80 NFKB1 (0.45) ALDH1A1NFKB1KDM4EMAPTTHRB

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-20110130349-A1 Compounds and Methods for Treating Toll-Like Receptor 2-Related Diseases and Conditions EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-02 — — 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-20110130349-A1 Compounds and Methods for Treating Toll-Like Receptor 2-Related Diseases and Conditions TLR2, TLR6, TLR3 ALDH1A1 1679/4885NFKB1 258/4885KDM4E 4404/4885

“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.

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