SCHEMBL4780375

SCHEMBL4780375

COc1cc(Br)c(Br)c(Br)c1Br

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ERN1 O75460 1/20 0.47
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
NQO2 P16083 2/20 0.46
PRKDC P78527 1/20 0.45
AKR1B1 P15121 3/20 0.44
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
HTR2A P28223 5/20 0.41
TAAR1 Q96RJ0 3/20 0.41
HTR2C P28335 1/20 0.41

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
SCHEMBL4779892 0.78 AKR1B1 (0.68) MAPTNPSR1TDP1POLBL3MBTL1
SCHEMBL943471 0.78 TDP1 (1.00) MAPTNPSR1TDP1L3MBTL1ERN1
SCHEMBL29389799 0.78 TDP1 (1.00) MAPTNPSR1TDP1L3MBTL1ERN1
SCHEMBL29878552 0.77 POLB (0.67) MAPTNPSR1POLBL3MBTL1ERN1
SCHEMBL298224 0.77 POLB (0.59) MAPTNPSR1POLBL3MBTL1PRKDC
SCHEMBL369991 0.77 POLB (0.67) MAPTNPSR1POLBL3MBTL1ERN1
SCHEMBL28870388 0.75 CA2 (0.67) MAPTNPSR1POLBL3MBTL1ERN1
SCHEMBL2388340 0.74 MAPT (0.46) MAPTNPSR1POLBL3MBTL1ERN1
SCHEMBL465076 0.74 MAPT (0.46) MAPTNPSR1TDP1POLBL3MBTL1
SCHEMBL23900009 0.73 MAPT (0.47) MAPTNPSR1TDP1POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080131420-A1 METHODS AND COMPOSITIONS FOR TREATING MUCOSAL INFLAMMATION ACCENTIA, INC. (US) 2008-06-05 US disclosed
WO-2008008494-A2 METHODS AND COMPOSITIONS FOR TREATING MUCOSAL INFLAMMATION ACCENTIA BIOPHARMACEUTICALS, INC. (US) 2008-01-17 WO disclosed
EP-0744171-B1 DENTAL COMPOSITION FOR HYPERSENSITIVE DENTIN SUN MEDICAL CO LTD (JP) 2003-09-03 EP disclosed
EP-0721773-B1 Dental composition for relieving dentin hypersensitivity SUN MEDICAL CO LTD (JP) 2002-03-27 EP disclosed
CN-1060644-C Dental composition for relieving dentin hypersensitivity SUN MEDICAL CO LTD (JP) 2001-01-17 CN disclosed
US-5879663-A Dental composition for dentin hypersensitivity SUN MEDICAL CO., LTD. (JP) 1999-03-09 US disclosed
US-5766328-A Dental composition for relieving dentin hypersensitivity SUN MEDICAL CO., LTD. (JP) 1998-06-16 US disclosed
EP-0744171-A1 DENTAL COMPOSITION FOR HYPERSENSITIVE DENTIN SUN MEDICAL CO., LTD. (JP) 1996-11-27 EP disclosed
CN-1130500-A Dental composition for relieving dentin hypersensitivity SUN MEDICAL CO LTD (JP) 1996-09-11 CN disclosed
EP-0721773-A2 Dental composition for relieving dentin hypersensitivity SUN MEDICAL CO., LTD. (JP) 1996-07-17 EP 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-20080131420-A1 METHODS AND COMPOSITIONS FOR TREATING MUCOSAL INFLAMMATION MMP8, MUC1, MPO MAPT 4065/4885NPSR1 4308/4885TDP1 4465/4885

“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.