SCHEMBL13345401

SCHEMBL13345401

COC(=O)C[C@H](OC(C)=O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
ALOX15 P16050 1/20 0.37
TSHR P16473 6/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
SLC1A1 P43005 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32

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
SCHEMBL6560774 0.85 ALOX15 (0.38) ALOX15TSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL10012505 0.83 MGAM (0.39) MGAMGAASIMGAM2ALOX15
SCHEMBL27992948 0.83 MGAM (0.39) MGAMGAASIMGAM2ALOX15
SCHEMBL19107058 0.82 ALOX15 (0.36) ALOX15TSHRSMN1; SMN2LMNATDP1
SCHEMBL18908300 0.80 ALOX15 (0.41) ALOX15TSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL29000852 0.80 ALOX15 (0.50) ALOX15TSHRSMN1; SMN2LMNATDP1
SCHEMBL13345390 0.80 TSHR (0.42) MGAMGAASIMGAM2TSHR
SCHEMBL18219051 0.80 ALOX15 (0.41) ALOX15TSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL5310540 0.80 ALOX15 (0.50) ALOX15TSHRSMN1; SMN2LMNATDP1
SCHEMBL18219006 0.80 ALOX15 (0.41) ALOX15TSHRALDH1A1SMN1; SMN2LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117986808-A Corrosion-resistant cable 天昕线缆有限公司 2024-05-07 CN claimed
CN-117986808-A Corrosion-resistant cable 天昕线缆有限公司 2024-05-07 CN disclosed
CN-117986808-A Corrosion-resistant cable 天昕线缆有限公司 2024-05-07 CN disclosed
US-20100113504-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-05-06 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-20100113504-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS HDAC3, HCCS, CCNH MGAM 4003/4885GAA 2542/4885SI 616/4885

“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.