SCHEMBL5880775

SCHEMBL5880775

O=C(CCc1occ2ccccc12)C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.41
KDM2B Q8NHM5 2/20 0.36
PARP1 P09874 1/20 0.35
ELANE P08246 2/20 0.35
CNR1 P21554 1/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP2C19 P33261 2/20 0.35
GAA P10253 1/20 0.34
CAMK2A Q9UQM7 2/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
ATM Q13315 1/20 0.34
MTNR1A P48039 1/20 0.34
KMT2A Q03164 1/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
CNR2 P34972 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CAMK2G Q13555 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
SCHEMBL7859850 0.77 KEAP1 (0.46) PARP1ALDH1A1CYP2C19LMNAPKM
SCHEMBL31115079 0.76 MAPT (0.49) ALDH1A1LMNAPKMKMT2AKDM4E
SCHEMBL7140950 0.76 EGFR (0.41) CYP2C19GAALMNAATMMTNR1A
SCHEMBL28242000 0.74 MAPT (0.44) ALDH1A1CYP2C19GAALMNAKMT2A
SCHEMBL4413665 0.72 CYP1A2 (0.54) ALDH1A1CYP2C19GAALMNAPKM
SCHEMBL5880795 0.71 ALDH1A1 (0.60) HSD11B1ALDH1A1CYP2C19LMNAKDM4E
SCHEMBL2961433 0.70 TDP1 (0.37) ALDH1A1CYP2C19GAALMNAKMT2A
SCHEMBL5880772 0.69 RAB9A (0.48) HSD11B1CYP2C19LMNAKMT2AKDM4E
SCHEMBL11880887 0.69 ALDH1A1 (0.63) HSD11B1ALDH1A1CYP2C19LMNAKDM4E
SCHEMBL10370767 0.69 KDM4E (0.41) ALDH1A1CYP2C19GAALMNAKMT2A

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 2 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

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 HSD11B1 1673/4885KDM2B 2723/4885PARP1 613/4885

“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.