SCHEMBL21030404

SCHEMBL21030404

CC(CCC(C)C1CCCO1)C1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
SLC6A3 Q01959 6/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 3/20 0.32
POLB P06746 2/20 0.32
HSD17B10 Q99714 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL20012690 1.00 HPGD (0.40) HPGDSLC6A3L3MBTL1GAAALDH1A1
SCHEMBL11741223 0.88 HPGD (0.35) HPGDSLC6A3ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL11777433 0.85 HPGD (0.39) HPGDL3MBTL1GAAALDH1A1POLB
SCHEMBL11743390 0.84 HPGD (0.34) HPGDSLC6A3ALDH1A1
SCHEMBL6135613 0.83 HPGD (0.38) HPGDL3MBTL1GAAALDH1A1POLB
SCHEMBL9376107 0.83 EPHX1 (0.36) HPGDALDH1A1
SCHEMBL19742949 0.83 HPGD (0.37) HPGDSLC6A3L3MBTL1ALDH1A1KMT2A
SCHEMBL11746420 0.83 HPGD (0.37) HPGDSLC6A3L3MBTL1ALDH1A1KMT2A
SCHEMBL13398845 0.83 HPGD (0.37) HPGDSLC6A3L3MBTL1ALDH1A1KMT2A
SCHEMBL22650371 0.82 HPGD (0.32) HPGD

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-20190275012-A9 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS LUPIN LIMITED (IN) 2019-09-12 US disclosed
US-20190160045-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS LUPIN LTD (IN) 2019-05-30 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 (2 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-20190275012-A9 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS MALT1, PTP4A1, PTPRO HPGD 3562/4885SLC6A3 2519/4885L3MBTL1 1778/4885
US-20190160045-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS MALT1, PTP4A1, PTPRO HPGD 3562/4885SLC6A3 2519/4885L3MBTL1 1778/4885

“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.