SCHEMBL5880680

SCHEMBL5880680

COc1ccc(CCC2(C3CCCC3)CC(=O)C(C(=O)Cc3cc(C)no3)C(=O)O2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
P2RX3 P56373 1/20 0.34
VHL P40337 1/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 2/20 0.33
EPHX2 P34913 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KLK7 P49862 1/20 0.32
PARP1 P09874 1/20 0.32

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
SCHEMBL5880886 0.84 ALDH1A1 (0.39) KMT2AMEN1RAB9ANPC1KDM4E
SCHEMBL5880856 0.82 MAPT (0.38) KMT2AMEN1RAB9AKDM4EALDH1A1
SCHEMBL5880889 0.78 CYP1A2 (0.35) KMT2ARAB9ANPC1MAPK1KDM4E
SCHEMBL5880885 0.73 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL3985392 0.71 NPSR1 (0.47) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL5880893 0.71 KMT2A (0.42) KMT2AMEN1MAPK1KDM4EALDH1A1
SCHEMBL3993739 0.70 MEN1 (0.38) KMT2AMEN1RAB9ANPC1MAPK1
SCHEMBL3988650 0.69 KDM4E (0.35) KMT2AMEN1RAB9ANPC1KDM4E
SCHEMBL5880877 0.69 TAAR1 (0.39) KMT2AMEN1RAB9ANPC1EPHX2
SCHEMBL3992533 0.69 CYP1A2 (0.40) KMT2ARAB9ANPC1KDM4EEPHX2

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
US-7115658-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase AGOURON PHARMACEUTICALS, INC. (US) 2006-10-03 US disclosed
US-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2004-02-05 US disclosed
WO-2003095441-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2003-11-20 WO 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-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same POLRMT, RNGTT, RNASE1 KMT2A 3031/4885MEN1 4865/4885P2RX3 3763/4885

“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.