SCHEMBL6495091

SCHEMBL6495091

CNc1ccc2oc3ccc(NCc4ccc5c(c4)OCCO5)cc3c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
EGFR P00533 6/20 0.48
POLB P06746 1/20 0.47
MAPT P10636 7/20 0.47
ALDH1A1 P00352 5/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPK1 P28482 2/20 0.47
MEN1 O00255 2/20 0.47
HPGD P15428 2/20 0.47
KMT2A Q03164 2/20 0.47
USP2 O75604 1/20 0.47
THRB P10828 1/20 0.47
ALOX12 P18054 1/20 0.47
CASP1 P29466 1/20 0.47
HTT P42858 1/20 0.47
CASP7 P55210 1/20 0.47
HBB P68871 1/20 0.47
TDP1 Q9NUW8 3/20 0.46

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
SCHEMBL6482422 0.88 LMNA (0.55) GAAEGFRPOLBMAPTALDH1A1
SCHEMBL6482315 0.86 GAA (0.49) GAAEGFRPOLBMAPTALDH1A1
SCHEMBL6481116 0.86 EGFR (0.57) GAAEGFRPOLBMAPTALDH1A1
SCHEMBL6483023 0.80 ALDH1A1 (0.64) GAAEGFRPOLBMAPTALDH1A1
SCHEMBL6492918 0.77 MAOB (0.53) GAAEGFRALDH1A1KDM4EHPGD
SCHEMBL6498073 0.75 RAB9A (0.56) GAAEGFRMAPTALDH1A1LMNA
SCHEMBL6498005 0.75 CA1 (0.46) MAPTALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL13605307 0.75 MAPT (0.59) GAAEGFRPOLBMAPTALDH1A1
SCHEMBL6530006 0.75 KDM4E (0.49) GAAPOLBMAPTALDH1A1LMNA
SCHEMBL6768203 0.73 GHSR (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075332-A1 Tricyclic compounds with antiviral activity WARNER LAMBERT COMPANY 2005-04-07 US claimed
US-20030229073-A1 Tricyclic compounds and method of treating herpes virus BOOTH RICHARD JOHN (US) 2003-12-11 US claimed
EP-1248777-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2002-10-16 EP claimed
WO-2001051479-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2001-07-19 WO claimed
US-20050075332-A1 Tricyclic compounds with antiviral activity WARNER LAMBERT COMPANY 2005-04-07 US disclosed
US-20030229073-A1 Tricyclic compounds and method of treating herpes virus BOOTH RICHARD JOHN (US) 2003-12-11 US disclosed
EP-1248777-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2002-10-16 EP disclosed
WO-2001051479-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2001-07-19 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 (2 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-20030229073-A1 Tricyclic compounds and method of treating herpes virus HDAC8, ZC3HAV1, ZCCHC8 GAA 1524/4885EGFR 1980/4885POLB 764/4885
US-20050075332-A1 Tricyclic compounds with antiviral activity HDAC8, CDK8, ZC3HAV1 GAA 1297/4885EGFR 1272/4885POLB 876/4885

“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.