SCHEMBL4873180

SCHEMBL4873180

COC(=O)C1CCCc2cc3c(cc2C1=O)CCCC3

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CDC25B P30305 1/20 0.36
MAPK1 P28482 1/20 0.35
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL7755712 0.91 MEN1 (0.42) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL14058960 0.81 KDM4E (0.35) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL4877854 0.81 ACHE (0.44) LMNA
SCHEMBL7222116 0.81 ACHE (0.49) KDM4EMAPTMAPK1
SCHEMBL14059398 0.81 TDP1 (0.38) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL2166539 0.79 NPC1 (0.44) ALDH1A1KDM4EMEN1MAPTHPGD
SCHEMBL4875547 0.78 SMN1; SMN2 (0.43) ALDH1A1KDM4EMAPTHSD17B10MAPK1
SCHEMBL7757705 0.78 KDM4E (0.43) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL9620834 0.77 ACHE (0.49)
SCHEMBL4875322 0.76 ACHE (0.36) ALDH1A1KDM4EMEN1GAAMAPT

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-8735411-B2 Macrocyclic benzofused pyrimidine derivatives ABBVIE INC. (US) 2014-05-27 US disclosed
US-20080188452-A1 Macrocyclic Benzofused Pyrimidine Derivatives ABBVIE INC. 2008-08-07 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-20080188452-A1 Macrocyclic Benzofused Pyrimidine Derivatives DPYD, TYMS, UMPS ALDH1A1 411/4885KDM4E 1709/4885MEN1 2195/4885

“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.