SCHEMBL4744377

SCHEMBL4744377

CC[C@H]1CCCN1C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 6/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
POLB P06746 1/20 0.44
ATM Q13315 1/20 0.43
TSHR P16473 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.40
KCNH2 Q12809 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
SCHEMBL14294016 1.00 KMT2A (0.46) KMT2AMAPTALDH1A1L3MBTL1POLB
SCHEMBL13198897 0.95 KMT2A (0.51) KMT2AMAPTALDH1A1L3MBTL1ATM
SCHEMBL5198204 0.93 KMT2A (0.54) KMT2AMAPTALDH1A1L3MBTL1ATM
SCHEMBL12483549 0.85 POLB (0.63) KMT2AL3MBTL1POLBTSHRRAB9A
SCHEMBL12482314 0.85 POLB (0.63) KMT2AL3MBTL1POLBTSHRRAB9A
SCHEMBL28158667 0.85 POLB (0.63) KMT2AL3MBTL1POLBTSHRRAB9A
SCHEMBL9220591 0.85 KDM4E (0.47) KMT2AMAPTALDH1A1L3MBTL1POLB
SCHEMBL20693641 0.85 KDM4E (0.47) KMT2AMAPTALDH1A1L3MBTL1POLB
SCHEMBL792002 0.84 HDAC8 (0.44) L3MBTL1POLBTSHRRAB9A
SCHEMBL30821937 0.84 POLB (0.43) MAPTL3MBTL1POLBTSHRRAB9A

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-20120114600-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS THERAVANCE, INC. (US) 2012-05-10 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-20120114600-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, ZC3HAV1 KMT2A 3825/4885MAPT 4309/4885ALDH1A1 1042/4885

“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.