SCHEMBL21414054

SCHEMBL21414054

CC(=O)c1cc2c3ccsc3c3sccc3c2o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
GAA P10253 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
BRCA1 P38398 1/20 0.36
CASP7 P55210 1/20 0.36
PDE4A P27815 9/20 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
SCHEMBL22172519 0.80 GAA (0.39) ALDH1A1GAAKDM4EHSD17B10MEN1
SCHEMBL18384689 0.76 LMNA (0.43) ALDH1A1GAAKDM4EHSD17B10MEN1
SCHEMBL18384682 0.76 LMNA (0.43) ALDH1A1GAAKDM4EHSD17B10MEN1
SCHEMBL21414004 0.75 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10MAPTL3MBTL1
SCHEMBL15790477 0.70 ALDH1A1 (0.39) ALDH1A1GAAKDM4EHSD17B10MEN1
SCHEMBL22079874 0.69 ALDH1A1 (0.51) ALDH1A1GAAKDM4EHSD17B10MEN1
SCHEMBL21414005 0.68 LMNA (0.37) ALDH1A1GAAKDM4EPOLBMAPT
SCHEMBL15473503 0.66 ALDH1A1 (0.39) ALDH1A1GAAKDM4EHSD17B10MEN1
SCHEMBL14668173 0.66 ALDH1A1 (0.43) ALDH1A1GAAKDM4EHSD17B10MEN1
SCHEMBL22680406 0.65 ALDH1A1 (0.42) ALDH1A1GAAKDM4EHSD17B10MEN1

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-10428085-B2 Asymmetric benzotrichalcogenophene compound and polymer NATIONAL CHIAO TUNG UNIVERSITY (TW) 2019-10-01 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-10428085-B2 Asymmetric benzotrichalcogenophene compound and polymer TST, TPR, TEC ALDH1A1 2424/4885GAA 4592/4885KDM4E 950/4885

“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.