SCHEMBL4958892

SCHEMBL4958892

O=Cc1ccc(Cl)c(-c2ccccc2Cl)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.48
TDP1 Q9NUW8 4/20 0.40
LMNA P02545 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 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
SCHEMBL4958315 0.85 ALDH1A1 (0.43) ERN1TDP1LMNAMEN1KMT2A
SCHEMBL4958324 0.82 STK10 (0.43) ERN1ALDH1A1STK10SLK
SCHEMBL4621466 0.80 ERN1 (0.37) ERN1LMNAMEN1KMT2AALDH1A1
SCHEMBL10533695 0.78 TDP1 (0.46) ERN1TDP1LMNAMEN1KMT2A
SCHEMBL8608158 0.73 ERN1 (0.48) ERN1TDP1LMNAMEN1KMT2A
SCHEMBL10718432 0.72 TDP1 (0.48) ERN1TDP1LMNAMEN1KMT2A
SCHEMBL1547476 0.71 TDP1 (0.52) ERN1TDP1LMNAMEN1KMT2A
SCHEMBL658824 0.71 ERN1 (0.47) ERN1TDP1LMNAMEN1KMT2A
SCHEMBL359233 0.71 ERN1 (0.61) ERN1TDP1LMNAMEN1KMT2A
SCHEMBL29952063 0.71 ERN1 (0.61) ERN1TDP1LMNAMEN1KMT2A

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 ERN1 4305/4885TDP1 1728/4885LMNA 2921/4885

“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.