SCHEMBL16689477

SCHEMBL16689477

COC(=O)c1c(N)sc(CCc2cc(CO)ccc2OC)c1C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
MAPT P10636 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
KLF5 Q13887 1/20 0.43
CISD2 Q8N5K1 10/20 0.42
GRM6 O15303 1/20 0.42
GRM5 P41594 1/20 0.42
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL16678653 0.86 MAPT (0.52) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL16689459 0.79 ALOX15 (0.42) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL23827470 0.76 HSD17B10 (0.49) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL16689471 0.74 GAA (0.54) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL16690898 0.70 HSD17B10 (0.53) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL13555257 0.69 TAAR1 (0.62) MEN1KMT2ALMNAKDM4EMAPK1
SCHEMBL10713052 0.69 ALDH1A1 (0.62) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL16689472 0.68 AR (0.41) ALDH1A1KDM4ENPC1RAB9A
SCHEMBL16689469 0.68 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL1845297 0.68 PPARA (0.51) ALDH1A1MEN1KMT2APOLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278958-B2 Anti-cancer compounds KATHOLIEKE UNIVERSITEIT LEUVEN K.U. LEUVEN R&D (BE) 2016-03-08 US disclosed
US-20150126559-A1 NOVEL ANTI-CANCER COMPOUNDS UNIVERSITA DEGLI STUDI DI FERRARA (IT) 2015-05-07 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-20150126559-A1 NOVEL ANTI-CANCER COMPOUNDS ATP5F1A, TP53, ABCF1 ALDH1A1 266/4885MAPT 4801/4885MEN1 1180/4885

“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.