SCHEMBL3486424

SCHEMBL3486424

COC(=O)C1(c2ccc(C(=O)O)cc2)CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
HRH3 Q9Y5N1 1/20 0.45
CHRM3 P20309 1/20 0.45
AKR1C1 Q04828 1/20 0.44
HDAC4 P56524 2/20 0.44
APOBEC3A P31941 2/20 0.43
APOBEC3G Q9HC16 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.43
HPGD P15428 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
PRCP P42785 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
SMN1; SMN2 Q16637 2/20 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
SCHEMBL3486826 0.98 CHRM3 (0.47) POLBKDM4EALDH1A1MAPTHRH3
SCHEMBL3486970 0.97 POLB (0.47) POLBKDM4EALDH1A1MAPTHRH3
SCHEMBL1018912 0.93 POLB (0.49) POLBKDM4EALDH1A1MAPTHRH3
SCHEMBL1041983 0.84 AKR1C1 (0.63) POLBALDH1A1CHRM3AKR1C1HDAC4
SCHEMBL23163646 0.83 HRH3 (0.47) KDM4EALDH1A1MAPTHRH3CHRM3
SCHEMBL3485457 0.83 MAPT (0.54) KDM4EALDH1A1MAPTHRH3CHRM3
SCHEMBL1042365 0.83 HDAC4 (0.62) POLBALDH1A1CHRM3AKR1C1HDAC4
SCHEMBL1042494 0.83 HDAC4 (0.62) POLBALDH1A1CHRM3AKR1C1HDAC4
SCHEMBL1038755 0.83 HDAC4 (0.62) POLBALDH1A1CHRM3AKR1C1HDAC4
SCHEMBL4813763 0.81 CHRM3 (0.41) POLBKDM4EALDH1A1MAPTCHRM3

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 POLB 4619/4885KDM4E 898/4885ALDH1A1 794/4885

“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.