SCHEMBL12537168

SCHEMBL12537168

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nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.40
▸ DPP8 Q6V1X1 1/20 0.40
▸ DPP9 Q86TI2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ ALOX15 P16050 2/20 0.37
▸ BLM P54132 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ THPO P40225 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ BMP1 P13497 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ PMP22 Q01453 1/20 0.35

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
SCHEMBL10308608 0.85 ALDH1A1 (0.42) ALDH1A1CHRM2CHRM4CHRM1ALOX15
SCHEMBL12537111 0.85 ALDH1A1 (0.42) ALDH1A1CHRM2CHRM4CHRM1ALOX15
SCHEMBL23685458 0.83 ALDH1A1 (0.41) ALDH1A1CHRM2CHRM4CHRM1ALOX15
SCHEMBL10308346 0.83 ALDH1A1 (0.41) ALDH1A1CHRM2CHRM4CHRM1ALOX15
SCHEMBL24158322 0.82 SIRT5 (0.43) DPP4DPP8DPP9ALDH1A1CHRM2
SCHEMBL12661034 0.82 CHRM2 (0.42) DPP4DPP8DPP9ALDH1A1CHRM2
SCHEMBL18133384 0.82 CHRM2 (0.42) DPP4DPP8DPP9ALDH1A1CHRM2
SCHEMBL287578 0.81 ALOX15 (0.53) ALDH1A1ALOX15BLMKDM4EMAPT
SCHEMBL5707637 0.81 ALOX15 (0.44) DPP4DPP8DPP9ALDH1A1CHRM2
SCHEMBL6026388 0.81 ALOX15 (0.53) ALDH1A1ALOX15BLMKDM4EMAPT

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 DPP4 709/4885DPP8 568/4885DPP9 686/4885

“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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