SCHEMBL3263050

SCHEMBL3263050

Brc1ccc2c(c1Br)CCc1ccccc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
SRD5A1 P18405 1/20 0.40
SRD5A2 P31213 1/20 0.40
DYRK1A Q13627 1/20 0.38
AKR1B1 P15121 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
CYP2A6 P11509 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
SETD7 Q8WTS6 1/20 0.34
MITF O75030 1/20 0.34
HSP90AA1 P07900 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL7055100 0.86 CES1 (0.60) CES1L3MBTL1TDP1AKR1B1RAB9A
SCHEMBL29453593 0.82 PNMT (0.46) CES1SRD5A2RAB9ANPC1BCHE
SCHEMBL784717 0.82 PNMT (0.46) CES1SRD5A2RAB9ANPC1BCHE
SCHEMBL27537662 0.80 PARP10 (0.46) CES1L3MBTL1TDP1SRD5A1SRD5A2
SCHEMBL28109051 0.79 SRD5A1 (0.49) L3MBTL1TDP1SRD5A1SRD5A2PNMT
Dihydrophenanthrene SCHEMBL155991 0.73 CES1 (0.68) CES1L3MBTL1TDP1SRD5A1SRD5A2
Dihydrophenanthrene SCHEMBL30297028 0.73 CES1 (0.68) CES1L3MBTL1TDP1SRD5A1SRD5A2
Dihydrophenanthrene SCHEMBL29404495 0.73 CES1 (0.68) CES1L3MBTL1TDP1SRD5A1SRD5A2
SCHEMBL8941775 0.73 CYP2A6 (0.47) CES1L3MBTL1SRD5A1SRD5A2DYRK1A
SCHEMBL27346636 0.73 CES1 (0.47) CES1L3MBTL1SRD5A1SRD5A2DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7651746-B2 Halogenated bisdiarylaminopolycyclic aromatic compounds and polymers thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-01-26 US disclosed
US-20070126345-A1 Halogenated bisdiarylaminopolycylic aromatic compounds and polymers thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-07 US disclosed
WO-2005049546-A1 HALOGENATED BISDIARYLAMINOPOLYCYLIC AROMATIC COMPOUNDS AND POLYMERS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-06-02 WO disclosed
EP-0397418-A1 9,10-dihydrophenanthrene-2,7-dicarboxylic acid diesters, 7-Bromo-9,10-dihydrophenanthrene-2-carboxylic acid esters and a process for producing the same Director General, Agency of Industrial Science and Technology (JP) 1990-11-14 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-20070126345-A1 Halogenated bisdiarylaminopolycylic aromatic compounds and polymers thereof AHR, AADAC, ARNT CES1 3416/4885L3MBTL1 1104/4885TDP1 3715/4885

“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.