SCHEMBL5880772

SCHEMBL5880772

O=C(CCc1cc2ccccc2o1)C1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
MAOB P27338 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PREP P48147 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.44
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
FFAR4 Q5NUL3 2/20 0.42
FFAR1 O14842 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 2/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
AGXT P21549 1/20 0.41
HSD11B1 P28845 1/20 0.41

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
SCHEMBL10368235 0.79 LOXL2 (0.55) RAB9ANPC1MAOBKDM4ECYP1A2
SCHEMBL7248298 0.77 LOXL2 (0.53) RAB9ANPC1MAOBKDM4ECYP2C19
SCHEMBL7140949 0.76 LOXL2 (0.56) RAB9ANPC1MAOBSMN1; SMN2LOXL2
SCHEMBL8707442 0.74 MAPT (0.52) RAB9ANPC1MAOBSMN1; SMN2LOXL2
SCHEMBL23804835 0.72 CYP1A2 (0.51) RAB9ANPC1MAOBCYP1A2CYP2C19
SCHEMBL18528970 0.71 LOXL2 (0.53) PREPLOXL2AGXT
SCHEMBL5640993 0.71 CASP6 (0.50) RAB9ANPC1MAOBCYP1A2CYP2C19
SCHEMBL5880795 0.71 ALDH1A1 (0.60) NPC1KDM4ECYP2C19SMN1; SMN2LMNA
SCHEMBL7030964 0.70 MAOB (0.50) RAB9ANPC1MAOBKDM4ELOXL2
SCHEMBL2249038 0.70 LOXL2 (0.60) RAB9AMAOBKDM4ELOXL2MEN1

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 RAB9A 3754/4885NPC1 694/4885MAOB 1316/4885

“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.