SCHEMBL2576704

SCHEMBL2576704

Cc1cc(C)n(C2CCC(C(=O)O)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
HSD17B10 Q99714 2/20 0.45
USP2 O75604 1/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM5A P29375 1/20 0.42
PDE7A Q13946 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NOTUM Q6P988 1/20 0.38
HSD11B1 P28845 1/20 0.38
TSHR P16473 1/20 0.37
KCNJ6 P48051 2/20 0.37
KCNJ5 P48544 2/20 0.37
KCNJ3 P48549 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
APAF1 O14727 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL2576703 1.00 KDM4E (0.45) KDM4EHSD17B10USP2HPGDNPSR1
SCHEMBL15935405 0.84 SMN1; SMN2 (0.41) KDM4EHSD17B10KDM5AMEN1KMT2A
SCHEMBL2586900 0.82 KDM4E (0.42) KDM4EKDM5APDE7AALDH1A1TSHR
SCHEMBL2586897 0.82 KDM4E (0.42) KDM4EKDM5APDE7AALDH1A1TSHR
SCHEMBL2579788 0.81 ALDH1A1 (0.48) KDM4EHSD17B10HPGDLMNAMEN1
SCHEMBL2579784 0.81 ALDH1A1 (0.48) KDM4EHSD17B10HPGDLMNAMEN1
SCHEMBL23748795 0.77 KDM4E (0.46) KDM4EHSD17B10HPGDKDM5AALDH1A1
SCHEMBL3364096 0.75 ALDH1A1 (0.49) KDM4EHSD17B10HPGDKDM5AALDH1A1
SCHEMBL31462462 0.75 ALDH1A1 (0.49) KDM4EHSD17B10HPGDKDM5AALDH1A1
SCHEMBL18865625 0.75 SMN1; SMN2 (0.42) KDM5ALMNAMEN1KMT2AALDH1A1

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
EP-2569319-B1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN LA ROCHE (CH) 2014-09-24 EP disclosed
US-8513238-B2 Heteroaryl-cyclohexyl-tetraazabenzo[E]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-08-20 US disclosed
EP-2569319-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F.HOFFMANN-LA ROCHE AG (CH) 2013-03-20 EP disclosed
WO-2011141396-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2011-11-17 WO disclosed
US-20110275801-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-11-10 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-20110275801-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AVPR1A, AVPR1B, OXTR KDM4E 3114/4885HSD17B10 754/4885USP2 1899/4885

“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.