SCHEMBL20465366

SCHEMBL20465366

CC(C)CC(C)(CO)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
CTSS P25774 2/20 0.47
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
AAK1 Q2M2I8 2/20 0.42
PRKCA P17252 1/20 0.41
PRKCD Q05655 1/20 0.41
CTSK P43235 2/20 0.41
SLC15A1 P46059 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL846938 0.88 ALDH1A1 (0.56) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL20465365 0.87 CTSS (0.46) ALDH1A1CTSSKMT2AMAPK1L3MBTL1
SCHEMBL12565582 0.83 ALDH1A1 (0.51) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL18265983 0.83 ALDH1A1 (0.51) ALDH1A1CTSSKMT2AMAPK1L3MBTL1
SCHEMBL27161900 0.82 ALDH1A1 (0.50) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL18482798 0.82 ALDH1A1 (0.50) ALDH1A1CTSSKMT2AMAPK1L3MBTL1
SCHEMBL16370059 0.82 ALDH1A1 (0.50) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL22702344 0.81 CTSS (0.42) ALDH1A1CTSSKMT2AMAPK1L3MBTL1
SCHEMBL18970224 0.81 ALDH1A1 (0.49) ALDH1A1CTSSKMT2AMAPK1L3MBTL1
SCHEMBL20608894 0.81 ALDH1A1 (0.49) ALDH1A1CTSSKMT2AMAPK1L3MBTL1

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-20180221342-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-08-09 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-20180221342-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, MAVS, EIF2AK2 ALDH1A1 3966/4885CTSS 1740/4885KMT2A 4038/4885

“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.