SCHEMBL3485510

SCHEMBL3485510

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KDM4E B2RXH2 2/20 0.50
HPGD P15428 1/20 0.50
OPRM1 P35372 1/20 0.49
HTR1E P28566 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
S1PR3 Q99500 1/20 0.48
HRH3 Q9Y5N1 1/20 0.46
CHRM3 P20309 1/20 0.46
LMNA P02545 1/20 0.45
HDAC4 P56524 3/20 0.44
ADRA1D P25100 2/20 0.44
ADRA1A P35348 2/20 0.44
ADRA1B P35368 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42
CYP2C19 P33261 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
SCHEMBL3485457 0.98 MAPT (0.54) MAPTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL3486450 0.95 MAPT (0.51) MAPTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL844453 0.91 OPRM1 (0.53) MAPTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL21726313 0.85 ALDH1A1 (0.56) MAPTALDH1A1SMN1; SMN2OPRM1HRH3
SCHEMBL8587646 0.85 KDM4E (0.57) MAPTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL3049424 0.85 HDAC1 (0.51) MAPTALDH1A1KDM4EOPRM1HRH3
SCHEMBL5639097 0.85 HDAC4 (0.61) MAPTALDH1A1SMN1; SMN2OPRM1NPSR1
SCHEMBL23163646 0.84 HRH3 (0.47) MAPTALDH1A1SMN1; SMN2KDM4EHRH3
SCHEMBL1042365 0.84 HDAC4 (0.62) ALDH1A1SMN1; SMN2CHRM3HDAC4MAPK1
SCHEMBL1038755 0.84 HDAC4 (0.62) ALDH1A1SMN1; SMN2CHRM3HDAC4MAPK1

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 4 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

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 MAPT 3292/4885ALDH1A1 794/4885SMN1; SMN2 3790/4885

“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.