SCHEMBL4960882

SCHEMBL4960882

O=Cc1ccc(F)c(-c2ccc(Cl)cc2Cl)c1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
CNR1 P21554 5/20 0.39
BACE1 P56817 1/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
MRGPRX4 Q96LA9 2/20 0.38
KDM1A O60341 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
PTGER1 P34995 1/20 0.37
AR P10275 1/20 0.37
ERN1 O75460 1/20 0.37

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
SCHEMBL4958287 0.89 KDM1A (0.40) LMNAALOX5APFEN1KDM1APTGER1
SCHEMBL4958842 0.82 MAOB (0.42) LMNACNR1BACE1ALOX5APFEN1
SCHEMBL4957324 0.80 KDM1A (0.40) LMNAKDM1APTGER1ARERN1
SCHEMBL4962154 0.78 LMNA (0.39) LMNAALOX5APFEN1PTGER1ERN1
SCHEMBL7812691 0.77 LMNA (0.59) LMNAMRGPRX4ERN1
SCHEMBL21647646 0.76 KDM1A (0.43) KDM1AERN1
SCHEMBL4959523 0.74 DRD4 (0.39) TDP1CNR1MRGPRX4KDM1APTGER1
SCHEMBL6911539 0.73 CCNB2 (0.42) LMNAALOX5APFEN1MRGPRX4
SCHEMBL16033831 0.73 KDM1A (0.47) KDM1AERN1
SCHEMBL8409065 0.73 SLC6A4 (0.50) MRGPRX4PTGER1ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871759-A1 BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 EP disclosed
WO-2006116158-A1 BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO disclosed
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2006-10-26 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 (1 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-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof HTR2C, HTR1D, HTR1A LMNA 2921/4885TDP1 1728/4885CNR1 28/4885

“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.