SCHEMBL5336384

SCHEMBL5336384

O=C1c2cc(Br)ccc2CCc2c(F)cccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
MAOA P21397 1/20 0.43
MAOB P27338 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
AKR1B1 P15121 1/20 0.42
SRD5A1 P18405 1/20 0.40
PTPRC P08575 1/20 0.40
GABRA1 P14867 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38

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) TDP1L3MBTL1MAOAMAOBCYP1A2
SCHEMBL5334934 0.82 TDP1 (0.65) TDP1L3MBTL1MAOAMAOBCYP1A2
SCHEMBL5337623 0.82 TDP1 (0.65) TDP1L3MBTL1MAOAMAOBCYP1A2
SCHEMBL4165982 0.81 CES1 (0.59) TDP1L3MBTL1MAOAMAOBAKR1B1
SCHEMBL358939 0.80 TDP1 (0.81) TDP1L3MBTL1MAOAMAOBCYP1A2
SCHEMBL16559357 0.80 SRD5A1 (0.54) MAOAMAOBMAPK1AKR1B1SRD5A1
SCHEMBL7052871 0.79 TDP1 (1.00) TDP1L3MBTL1MAOAMAOBCYP1A2
SCHEMBL16163453 0.75 TDP1 (0.63) TDP1L3MBTL1MAOAMAOBCYP1A2
SCHEMBL22797539 0.74 TDP1 (0.77) TDP1L3MBTL1MAOAMAOBPARP1
SCHEMBL6388288 0.73 CYP19A1 (0.47) MAOAMAOBMAPK1AKR1B1SRD5A1

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 1538/4885MAOA 1936/4885

“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.