SCHEMBL15045494

SCHEMBL15045494

O=C(CBr)C1CCCCC(Br)CCC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
EPHX1 P07099 1/20 0.31
RECQL P46063 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL18373930 0.98 CES2 (0.41) NLRP3CES2CES1HDAC8HDAC6
SCHEMBL18374076 0.96 CES2 (0.42) NLRP3CES2CES1HDAC8HDAC6
SCHEMBL15045493 0.96 CES2 (0.42) NLRP3CES2CES1HDAC8HDAC6
SCHEMBL477153 0.89
SCHEMBL2624020 0.89
SCHEMBL17793354 0.86 CES2 (0.50) NLRP3CES2CES1HDAC8HDAC6
SCHEMBL2108161 0.86 CES2 (0.50) NLRP3CES2CES1HDAC8HDAC6
SCHEMBL9269248 0.86 CES2 (0.50) NLRP3CES2CES1HDAC8HDAC6
SCHEMBL14865081 0.86 CES2 (0.50) NLRP3CES2CES1HDAC8HDAC6
SCHEMBL611777 0.86 CES2 (0.50) NLRP3CES2CES1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS SCHERING CORPORATION 2013-06-20 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-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS HAVCR2, ELOC, ZC3HAV1 NLRP3 1320/4885CES2 30/4885CES1 261/4885

“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.