SCHEMBL5758939

SCHEMBL5758939

COc1cccc2ccc(C3(O)CCN(C(=O)OC(C)(C)C)C(C)C3)cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.35
SUV39H2 Q9H5I1 1/20 0.35
ACACA Q13085 1/20 0.35
ALDH1A1 P00352 2/20 0.35
NR1H2 P55055 3/20 0.35
RXRA P19793 2/20 0.35
NR1H3 Q13133 2/20 0.35
PDE4A P27815 3/20 0.34
PDE4B Q07343 3/20 0.34
PDE4C Q08493 3/20 0.34
PDE4D Q08499 3/20 0.34
HCRTR1 O43613 1/20 0.34
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
TGFBR1 P36897 1/20 0.34
HTR6 P50406 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM1A O60341 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
SCHEMBL5759899 0.84 ACACB (0.43) ACACBACACAALDH1A1PDE4APDE4B
SCHEMBL5759621 0.83 KDM4E (0.41) ACACBALDH1A1KDM4EKDM2B
SCHEMBL5756285 0.80 HDAC3 (0.38) SUV39H2NR1H2RXRANR1H3PDE4A
SCHEMBL18616707 0.79 GRM5 (0.44) ALDH1A1NR1H2RXRANR1H3JAK2
SCHEMBL16423025 0.78 LMNA (0.42) ALDH1A1JAK2JAK1
SCHEMBL18689673 0.78 JAK2 (0.44) NR1H2RXRANR1H3JAK2JAK1
SCHEMBL13455154 0.76 RORC (0.43) ALDH1A1NR1H2NR1H3JAK2JAK1
SCHEMBL31734998 0.76 DRD2 (0.52) KDM4E
SCHEMBL12686825 0.76 DRD2 (0.39) ACACBNR1H2RXRANR1H3JAK2
SCHEMBL5760656 0.76 CHRNA7 (0.37) ACACBNR1H2RXRANR1H3JAK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144898-B2 Indole derivatives for the treatment of depression and anxiety ELI LILLY AND COMPANY (US) 2006-12-05 US disclosed
EP-1242411-B1 INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AND ANXIETY LILLY CO ELI (US) 2006-03-08 EP disclosed
US-20040006229-A1 Indole derivatives for the treatment of depression and anxiety ELI LILLY AND COMPANY 2004-01-08 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-20040006229-A1 Indole derivatives for the treatment of depression and anxiety IDO1, TPH1, IDO2 ACACB 2154/4885SUV39H2 503/4885ACACA 1423/4885

“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.