SCHEMBL6482233

SCHEMBL6482233

FC(F)(F)c1ccc(CNc2ccc3oc4ccccc4c3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.54
APP P05067 2/20 0.44
FFAR1 O14842 1/20 0.44
MAPT P10636 2/20 0.43
VKORC1 Q9BQB6 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A1 P04798 1/20 0.42
CYP2E1 P05181 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP4B1 P13584 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP3A5 P20815 1/20 0.42
CYP2A7 P20853 1/20 0.42
CYP3A7 P24462 1/20 0.42
CYP2F1 P24903 1/20 0.42

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
SCHEMBL6495412 0.87 FFAR1 (0.49) EPHX2APPFFAR1MAPTMEN1
SCHEMBL6484020 0.87 CA1 (0.45) EPHX2MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL6481682 0.87 PPARA (0.44) EPHX2FFAR1PPARA
SCHEMBL7246584 0.84 CYP1A2 (0.53) MAPTCYP1A2CYP2D6CYP2C19MEN1
SCHEMBL6482295 0.84 HPGD (0.54) MAPTCYP1A2CYP2D6CYP2C19MEN1
SCHEMBL6480126 0.84 SMN1; SMN2 (0.46) EPHX2MAPTCYP2C19CYP3A4CYP2C9
SCHEMBL6491860 0.82 KDM4E (0.49) MAPTMEN1ALDH1A1GAAKMT2A
SCHEMBL6493823 0.82 EGFR (0.50) MAPTCYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL6493319 0.82 HTT (0.53) MAPTCYP1A2CYP2D6CYP2C19MEN1
SCHEMBL7245463 0.82 MAOB (0.47) MAPTCYP1A2CYP2D6CYP2C19CYP2C9

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-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
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

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 EPHX2 2079/4885APP 4080/4885FFAR1 4196/4885
US-20050075332-A1 Tricyclic compounds with antiviral activity HDAC8, CDK8, ZC3HAV1 EPHX2 3805/4885APP 4742/4885FFAR1 3974/4885

“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.