SCHEMBL3486826

SCHEMBL3486826

COC(=O)C1(c2ccc(C(=O)O)cc2)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.47
POLB P06746 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HDAC4 P56524 2/20 0.45
HRH3 Q9Y5N1 1/20 0.44
AKR1C1 Q04828 1/20 0.43
LMNA P02545 1/20 0.43
APOBEC3A P31941 3/20 0.43
APOBEC3G Q9HC16 3/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HPGD P15428 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.42
HDAC1 Q13547 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL3486424 0.98 POLB (0.47) CHRM3POLBKDM4EALDH1A1MAPT
SCHEMBL3486970 0.95 POLB (0.47) CHRM3POLBKDM4EALDH1A1MAPT
SCHEMBL1018912 0.92 POLB (0.49) POLBKDM4EALDH1A1MAPTHRH3
SCHEMBL1042494 0.85 HDAC4 (0.62) CHRM3POLBALDH1A1HDAC4AKR1C1
SCHEMBL1042365 0.85 HDAC4 (0.62) CHRM3POLBALDH1A1HDAC4AKR1C1
SCHEMBL1038755 0.85 HDAC4 (0.62) CHRM3POLBALDH1A1HDAC4AKR1C1
SCHEMBL3485510 0.83 MAPT (0.53) CHRM3KDM4EALDH1A1MAPTHDAC4
SCHEMBL4813763 0.83 CHRM3 (0.41) CHRM3POLBKDM4EALDH1A1MAPT
SCHEMBL1041983 0.83 AKR1C1 (0.63) CHRM3POLBALDH1A1HDAC4AKR1C1
SCHEMBL3049424 0.82 HDAC1 (0.51) CHRM3KDM4EALDH1A1MAPTHDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
EP-2058309-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-05-13 EP disclosed
EP-2058309-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-05-13 EP 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-20100029619-A1 FUSED HETEROCYCLIC COMPOUND IRAK1, IL1R1, IRAK2 CHRM3 730/4885POLB 4619/4885KDM4E 898/4885

“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.