SCHEMBL13620409

SCHEMBL13620409

Cc1cccc(C(CCC(C)C)C(=O)O)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
RECQL P46063 1/20 0.42
SORT1 Q99523 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.39
P2RX7 Q99572 1/20 0.38
RAB9A P51151 2/20 0.37
FAAH O00519 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
CPB1 P15086 1/20 0.36
CPB2 Q96IY4 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL895908 0.82 HTT (0.45) HTTRECQLP2RX7RAB9AMEN1
SCHEMBL13619873 0.79 MEN1 (0.42) SORT1SMN1; SMN2RAB9AFAAHMEN1
SCHEMBL13619874 0.78 MEN1 (0.41) SORT1SMN1; SMN2P2RX7RAB9AMEN1
SCHEMBL3743365 0.76 RECQL (0.49) HTTRECQLSORT1SMN1; SMN2P2RX7
SCHEMBL10518849 0.76 CYP2C19 (0.49) SMN1; SMN2RAB9ACPB1CPB2MEN1
SCHEMBL3638163 0.74 HTT (0.50) HTTRECQLSORT1SMN1; SMN2P2RX7
SCHEMBL28532700 0.73 HTT (0.43) HTTRECQLP2RX7RAB9AFAAH
SCHEMBL17921346 0.73 HTT (0.49) HTTRECQLSORT1SMN1; SMN2P2RX7
SCHEMBL17061225 0.72 HTT (0.45) HTTRECQLSMN1; SMN2P2RX7RAB9A
SCHEMBL13619853 0.72 CPB2 (0.39) HTTRAB9ACPB1CPB2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009134616-A2 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-05 WO disclosed
US-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-10-15 US disclosed
US-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-10-15 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-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication EIF2AK2, HAVCR2, HDGF HTT 4609/4885RECQL 431/4885SORT1 4795/4885

“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.