SCHEMBL3093015

SCHEMBL3093015

COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc(F)cc3OC[C@@H]3CO3)[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.43
ALDH1A1 P00352 9/20 0.41
MAPK1 P28482 1/20 0.41
HPGD P15428 5/20 0.40
KIF11 P52732 1/20 0.38
HTR2A P28223 2/20 0.37
KCNH2 Q12809 2/20 0.37
KMT2A Q03164 4/20 0.36
GAA P10253 3/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
RXFP1 Q9HBX9 2/20 0.36
GSK3B P49841 1/20 0.35

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
SCHEMBL3092166 0.92 PARP1 (0.44) PARP1ALDH1A1MAPK1HPGDKIF11
SCHEMBL3086900 0.92 PARP1 (0.44) PARP1ALDH1A1MAPK1HPGDKIF11
SCHEMBL1952762 0.86 PAX8 (0.44) PARP1HPGDKIF11
SCHEMBL2277686 0.85 ALDH1A1 (0.40) PARP1ALDH1A1MAPK1HPGDKIF11
SCHEMBL2274121 0.84 PARP1 (0.50) PARP1ALDH1A1MAPK1HPGDKIF11
SCHEMBL2281834 0.84 HPGD (0.38) PARP1ALDH1A1HPGDKIF11KCNH2
SCHEMBL3787651 0.83 ALDH1A1 (0.41) PARP1ALDH1A1MAPK1HPGDKIF11
SCHEMBL3787653 0.83 ALDH1A1 (0.41) PARP1ALDH1A1MAPK1HPGDKIF11
SCHEMBL771442 0.81 PARP1 (0.48) PARP1ALDH1A1MAPK1HPGDKIF11
SCHEMBL772671 0.79 EGFR (0.41) PARP1ALDH1A1MAPK1HPGDKIF11

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-7795247-B2 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-09-14 US disclosed
US-20060100262-A1 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICHERCHEDI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IRMB) (IT) 2006-05-11 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-20060100262-A1 Tetracyclic indole derivatives as antiviral agents IDO1, ZC3HAV1, IDO2 PARP1 807/4885ALDH1A1 634/4885MAPK1 3736/4885

“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.