SCHEMBL30540966

SCHEMBL30540966

C=CC(=O)C(C(=O)C=C)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
MMP13 P45452 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 3/20 0.37
MMP8 P22894 1/20 0.37
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 3/20 0.33
CA14 Q9ULX7 2/20 0.33
MEN1 O00255 2/20 0.33
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
HPGD P15428 1/20 0.31
CA12 O43570 1/20 0.31
TGM2 P21980 1/20 0.31
LMNA P02545 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL2552780 0.78 TSHR (0.40) MMP2MMP9MMP13SMN1; SMN2TSHR
SCHEMBL10720609 0.76 SMN1; SMN2 (0.36) MMP2MMP9MMP13SMN1; SMN2TSHR
SCHEMBL1924525 0.74 LMNA (0.44) TSHRALDH1A1LMNA
SCHEMBL422851 0.74 SMN1; SMN2 (0.53) MMP2MMP9MMP13SMN1; SMN2TSHR
SCHEMBL27438392 0.73 SMN1; SMN2 (0.37) MMP2MMP9MMP13SMN1; SMN2TSHR
SCHEMBL28273633 0.73 SMN1; SMN2 (0.33) SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL9432505 0.72 TSHR (0.34) SMN1; SMN2TSHRALDH1A1
SCHEMBL3288838 0.72 MEN1 (0.36) SMN1; SMN2TSHRKMT2AMEN1HPGD
SCHEMBL4813495 0.71 ALDH1A1 (0.40) TSHRALDH1A1HCAR2HPGDLMNA
SCHEMBL5962166 0.70 ALDH1A1 (0.47) TSHRALDH1A1LMNA

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-20230265041-A1 CURCUMIN ANALOGUES AS ZINC CHELATORS AND TEHIR USES THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-08-24 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-20230265041-A1 CURCUMIN ANALOGUES AS ZINC CHELATORS AND TEHIR USES NFRKB, NFKBIA, NFKB1 MMP2 32/4885MMP9 17/4885MMP13 12/4885

“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.