SCHEMBL13619874

SCHEMBL13619874

CCOC(=O)CC(=O)C(CCC(C)C)c1cccc(C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SORT1 Q99523 2/20 0.41
NLRP3 Q96P20 2/20 0.36
CYP1A2 P05177 2/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 3/20 0.35
NPC1 O15118 2/20 0.35
TP53 P04637 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PRNP P04156 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
P2RX7 Q99572 1/20 0.35
MAPK1 P28482 1/20 0.34
GBA1 P04062 1/20 0.34

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
SCHEMBL13619592 0.82 SMN1; SMN2 (0.48) MEN1KMT2ACYP1A2TSHRALDH1A1
SCHEMBL13619873 0.81 MEN1 (0.42) MEN1KMT2ASORT1CYP1A2TSHR
SCHEMBL13620409 0.78 HTT (0.42) MEN1KMT2ASORT1KDM4ENPC1
SCHEMBL13619859 0.78 KDM4E (0.36) MEN1KMT2ANLRP3ALDH1A1KDM4E
SCHEMBL13619836 0.76 CXCR1 (0.37) MEN1KMT2ACYP1A2ALDH1A1KDM4E
SCHEMBL312578 0.72 CYP1A2 (0.42) MEN1KMT2ACYP1A2TSHRALDH1A1
SCHEMBL3750331 0.70 CYP1A2 (0.47) MEN1KMT2ACYP1A2TSHRALDH1A1
SCHEMBL3943579 0.68 P2RX7 (0.54) MEN1KMT2ANLRP3CYP1A2TSHR
SCHEMBL17827993 0.68 RAB9A (0.43) MEN1KMT2ATSHRMAPTNPC1
SCHEMBL895908 0.68 HTT (0.45) MEN1KMT2ACYP1A2TSHRALDH1A1

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 MEN1 4723/4885KMT2A 2735/4885SORT1 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.