SCHEMBL6484020

SCHEMBL6484020

CC(C)(C)c1ccc(CNc2ccc3oc4ccccc4c3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
TRPV1 Q8NER1 1/20 0.43
MAOB P27338 2/20 0.42
HPGD P15428 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
EPHX2 P34913 1/20 0.40
FSHR P23945 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39

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
SCHEMBL6498005 0.88 CA1 (0.46) CA1CA2TRPV1MAOBHPGD
SCHEMBL6482233 0.87 EPHX2 (0.54) MAOBHPGDCYP1A2CYP2D6CYP2C19
SCHEMBL6482939 0.86 CA1 (0.44) CA1CA2TRPV1MAOBCA12
SCHEMBL6493319 0.85 HTT (0.53) MAOBHPGDCYP1A2CYP2D6CYP2C19
SCHEMBL6482295 0.84 HPGD (0.54) MAOBHPGDCYP1A2CYP2D6CYP2C19
SCHEMBL7246584 0.84 CYP1A2 (0.53) MAOBHPGDCYP1A2CYP2D6CYP2C19
SCHEMBL6493823 0.82 EGFR (0.50) MAOBHPGDCYP1A2CYP2D6CYP2C19
SCHEMBL7245463 0.82 MAOB (0.47) MAOBHPGDCYP1A2CYP2D6CYP2C19
SCHEMBL16657712 0.82 MEN1 (0.44) HPGDCYP1A2CYP2D6CYP2C19HTT
SCHEMBL6483334 0.82 CNR2 (0.56) HPGDCYP1A2CYP2C19MEN1KMT2A

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 10 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-6800656-B2 Tricyclic compounds and method of treating herpes virus WARNER LAMBERT COMPANY 2004-10-05 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-6800656-B2 Tricyclic compounds and method of treating herpes virus WARNER LAMBERT COMPANY 2004-10-05 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 CA1 914/4885CA2 989/4885TRPV1 2689/4885
US-20050075332-A1 Tricyclic compounds with antiviral activity HDAC8, CDK8, ZC3HAV1 CA1 1533/4885CA2 1473/4885TRPV1 2115/4885

“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.