SCHEMBL5337623

SCHEMBL5337623

O=C1c2cc(Br)ccc2CCc2c(I)cccc21

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
CYP1A2 P05177 1/20 0.42
MAPK1 P28482 1/20 0.42
PARP1 P09874 1/20 0.42
PARP10 Q53GL7 1/20 0.42
PTPRC P08575 1/20 0.40
AKR1B1 P15121 2/20 0.39
CES1 P23141 1/20 0.37
S100A4 P26447 1/20 0.37
TYMS P04818 3/20 0.36
METAP1 P53582 1/20 0.36
EDNRB P24530 2/20 0.36
EDNRA P25101 2/20 0.36
BCL2 P10415 1/20 0.36
MCL1 Q07820 1/20 0.36
MAPK14 Q16539 1/20 0.34

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
SCHEMBL7054532 0.85 TDP1 (0.69) TDP1L3MBTL1MAOBMAOACYP1A2
SCHEMBL5334934 0.82 TDP1 (0.65) TDP1L3MBTL1MAOBMAOACYP1A2
SCHEMBL5336384 0.82 TDP1 (0.65) TDP1L3MBTL1MAOBMAOACYP1A2
SCHEMBL11683792 0.81 CES1 (0.59) TDP1L3MBTL1MAOBMAOAMAPK1
SCHEMBL358939 0.80 TDP1 (0.81) TDP1L3MBTL1MAOBMAOACYP1A2
SCHEMBL7052871 0.79 TDP1 (1.00) TDP1L3MBTL1MAOBMAOACYP1A2
SCHEMBL16163453 0.75 TDP1 (0.63) TDP1L3MBTL1MAOBMAOACYP1A2
SCHEMBL22797539 0.74 TDP1 (0.77) TDP1L3MBTL1MAOBMAOAPARP1
SCHEMBL20434605 0.73 TDP1 (0.56) TDP1L3MBTL1MAOBMAOAPARP1
SCHEMBL14925865 0.71 TDP1 (0.67) TDP1L3MBTL1MAOBMAOAPARP1

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
US-7309718-B2 Dibenzocycloheptene compound UBE INDUSTRIES, LTD. (JP) 2007-12-18 US disclosed
US-20040180884-A1 Dibenzocycloheptene compound UBE INDUSTRIES, LTD. (JP) 2004-09-16 US disclosed
EP-1408033-A1 DIBENZOCYCLOHEPTENE COMPOUND Ube Industries, Ltd. (JP) 2004-04-14 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-20040180884-A1 Dibenzocycloheptene compound LTB4R2, LTA4H, LTC4S TDP1 4444/4885L3MBTL1 1538/4885MAOB 1301/4885

“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.