SCHEMBL4122580

SCHEMBL4122580

CCC(CC(=O)O)c1nnn[nH]1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.35
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
FFAR1 O14842 1/20 0.33
HCAR3 P49019 1/20 0.31
POLB P06746 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
GABBR2 O75899 1/20 0.30
GABBR1 Q9UBS5 1/20 0.30

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
SCHEMBL17242795 0.80 CYSLTR2 (0.36) ALDH1A1FFAR1TDP1
SCHEMBL1641200 0.79 TDP1 (0.34) KDM4EALDH1A1POLBAPOBEC3GTDP1
SCHEMBL8341038 0.74 KDM4E (0.32) KDM4EALDH1A1POLBAPOBEC3GTDP1
SCHEMBL8893948 0.74 KDM4E (0.32) KDM4EALDH1A1POLBAPOBEC3GTDP1
SCHEMBL4119473 0.74 AKR1C3 (0.32)
SCHEMBL3787466 0.74 ALDH1A1 (0.35) KDM4EALDH1A1POLBAPOBEC3GTDP1
SCHEMBL17251217 0.71 ACACB (0.39) ALDH1A1
SCHEMBL17242863 0.69 GABRP (0.34)
SCHEMBL11166999 0.69
SCHEMBL18596679 0.69 KDM4E (0.30) KDM4E

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-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
EP-1939205-A1 TRICYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-02 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-20090181942-A1 TRICYCLIC COMPOUNDS FDFT1, COASY, HMGCR APEX1 3916/4885KDM4E 2123/4885ALDH1A1 1587/4885

“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.