SCHEMBL6481682

SCHEMBL6481682

Fc1ccc2oc3ccc(NCc4ccc(C(F)(F)F)cc4)cc3c2c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.44
FFAR1 O14842 1/20 0.44
CLK1 P49759 1/20 0.43
DYRK1A Q13627 1/20 0.43
EPHX2 P34913 2/20 0.42
CACNA1B Q00975 3/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
VNN1 O95497 1/20 0.40
USP10 Q14694 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.39
USP13 Q92995 1/20 0.39
EGFR P00533 1/20 0.39
ADRA2A P08913 1/20 0.38
CACNA1H O95180 1/20 0.38

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
SCHEMBL6484551 0.89 USP10 (0.48) PPARACACNA1BHDAC1HDAC8HDAC6
SCHEMBL6482939 0.88 CA1 (0.44) PPARAUSP10PIK3C3USP13
SCHEMBL6482233 0.87 EPHX2 (0.54) PPARAFFAR1EPHX2
SCHEMBL6495445 0.86 FFAR1 (0.48) FFAR1CLK1DYRK1AHDAC1HDAC6
SCHEMBL6481651 0.84 EGFR (0.43) FFAR1HDAC1USP10PIK3C3USP13
SCHEMBL6485990 0.84 KDM4E (0.48) HDAC1USP10PIK3C3USP13
SCHEMBL6481101 0.84 MEN1 (0.45) PPARAUSP10PIK3C3USP13EGFR
SCHEMBL6493222 0.84 MAPT (0.48) USP10PIK3C3USP13
SCHEMBL6496615 0.83 MAOB (0.49)
SCHEMBL6482716 0.82 CLK1 (0.41) CLK1DYRK1AUSP10PIK3C3USP13

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 9 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-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 PPARA 3497/4885FFAR1 4196/4885CLK1 4412/4885
US-20050075332-A1 Tricyclic compounds with antiviral activity HDAC8, CDK8, ZC3HAV1 PPARA 1890/4885FFAR1 3974/4885CLK1 4747/4885

“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.