SCHEMBL6493823

SCHEMBL6493823

Clc1ccc(CNc2ccc3oc4ccccc4c3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.50
IGF1R P08069 1/20 0.50
FLT4 P35916 1/20 0.50
KDR P35968 1/20 0.50
AHR P35869 2/20 0.49
PKM P14618 1/20 0.48
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
MEN1 O00255 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP2C9 P11712 1/20 0.43
RECQL P46063 1/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
P2RX3 P56373 1/20 0.42
MAOB P27338 1/20 0.42
IDO1 P14902 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
SCHEMBL6482295 0.88 HPGD (0.54) EGFRIGF1RFLT4KDRCYP1A2
SCHEMBL7246584 0.88 CYP1A2 (0.53) IGF1RAHRCYP1A2CYP2C19CYP2D6
SCHEMBL6495487 0.87 MAOB (0.49) EGFRAHRPKMMEN1KMT2A
SCHEMBL6497189 0.86 IDO1 (0.54) EGFRIGF1RAHRMAOBIDO1
SCHEMBL6493319 0.86 HTT (0.53) AHRCYP1A2CYP2C19CYP2D6MEN1
SCHEMBL7245463 0.85 MAOB (0.47) AHRCYP1A2CYP2C19CYP2D6MEN1
SCHEMBL6481651 0.84 EGFR (0.43) EGFRCYP1A2CYP2C19MEN1RAB9A
SCHEMBL6482150 0.83 CYP1A2 (0.49) CYP1A2CYP2C19CYP2D6MEN1RAB9A
SCHEMBL6491860 0.83 KDM4E (0.49) EGFRIGF1RFLT4KDRMEN1
SCHEMBL6483334 0.82 CNR2 (0.56) EGFRIGF1RCYP1A2CYP2C19MEN1

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-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

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 EGFR 1980/4885IGF1R 3806/4885FLT4 3706/4885
US-20050075332-A1 Tricyclic compounds with antiviral activity HDAC8, CDK8, ZC3HAV1 EGFR 1272/4885IGF1R 2250/4885FLT4 2102/4885

“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.