SCHEMBL16407779

SCHEMBL16407779

CC(C)C(=O)C(C)(C)C1CCCO1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.32
GAA P10253 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
NPC1 O15118 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL15113784 0.95 SLC6A3 (0.31) HPGDTSHRNPSR1
SCHEMBL16409160 0.79 KMT2A (0.34) SMN1; SMN2NPC1
SCHEMBL7919980 0.79 SMN1; SMN2 (0.32) HPGDGAAALDH1A1SMN1; SMN2NPC1
SCHEMBL13769521 0.77 NPC1 (0.31) SMN1; SMN2NPC1
SCHEMBL12390100 0.76 ABCB1 (0.44) HPGDGAAL3MBTL1ALDH1A1HTT
SCHEMBL15113908 0.75 POLB (0.30)
SCHEMBL16370425 0.74 HPGD (0.35) HPGDL3MBTL1ALDH1A1SMN1; SMN2NPC1
SCHEMBL19388394 0.74 KMT2A (0.32) HPGDALDH1A1SMN1; SMN2NPC1PKM
SCHEMBL12928721 0.73 KMT2A (0.30)
SCHEMBL15114499 0.73 SLC6A3 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 US disclosed
US-20150297568-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-10-22 US disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 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 (3 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-20150023913-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 HPGD 3868/4885GAA 931/4885L3MBTL1 2254/4885
US-20150297568-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 HPGD 3868/4885GAA 931/4885L3MBTL1 2254/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS HPGD 3907/4885GAA 1244/4885L3MBTL1 1789/4885

“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.