SCHEMBL2281027

SCHEMBL2281027

COCOc1cc(OC)ccc1-c1[nH]c2cc(C(=O)OC)ccc2c1C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.41
ALDH1A1 P00352 6/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PARP1 P09874 1/20 0.40
KIF11 P52732 1/20 0.40
TLR9 Q9NR96 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
GSK3B P49841 1/20 0.37
MAPK1 P28482 1/20 0.37
HPGD P15428 2/20 0.37
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 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
SCHEMBL772671 0.96 EGFR (0.41) EGFRALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL2273262 0.90 EGFR (0.41) EGFRALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL2277451 0.87 ENPP1 (0.39) EGFRALDH1A1SMN1; SMN2PARP1KIF11
SCHEMBL2274017 0.87 SYK (0.38) ALDH1A1SMN1; SMN2PARP1KIF11MAPK1
SCHEMBL2279943 0.86 PARP1 (0.45) ALDH1A1SMN1; SMN2KMT2AMEN1PARP1
SCHEMBL3247052 0.83 PARP1 (0.42) ALDH1A1SMN1; SMN2KMT2AMEN1PARP1
SCHEMBL14074220 0.82 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KMT2AMEN1PARP1
SCHEMBL13936706 0.81 PARP1 (0.51) ALDH1A1SMN1; SMN2KMT2AMEN1PARP1
SCHEMBL5443018 0.81 PARP1 (0.47) ALDH1A1SMN1; SMN2PARP1KIF11GSK3B
SCHEMBL2275400 0.81 PARP1 (0.42) ALDH1A1SMN1; SMN2KMT2AMEN1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989438-B2 Therapeutic compounds ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-08-02 US disclosed
EP-2178886-A1 MACROCYCLIC INDOLE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INFECTIONS Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2010-04-28 EP disclosed
EP-2178885-A1 MACROCYCLIC INDOLE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INFECTIONS Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2010-04-28 EP disclosed
US-20090048239-A1 Therapeutic compounds MSD ITALIA S.R.L. (IT) 2009-02-19 US disclosed
WO-2009010783-A1 MACROCYCLIC INDOLE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INFECTIONS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-01-22 WO disclosed
WO-2009010785-A1 MACROCYCLIC INDOLE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INFECTIONS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-01-22 WO 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-20090048239-A1 Therapeutic compounds RRP1B, RCE1, CTSZ EGFR 4510/4885ALDH1A1 1358/4885SMN1; SMN2 4013/4885

“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.