SCHEMBL3263053

SCHEMBL3263053

BrC1c2ccccc2-c2ccccc2C1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.46
HTR2A P28223 2/20 0.46
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
POLB P06746 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 1/20 0.38
ACHE P22303 3/20 0.37
BCHE P06276 2/20 0.37
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD1 P21728 1/20 0.37

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
SCHEMBL8087837 0.84 MEN1 (0.52) NCOR2POLBCYP1A2BCHEKMT2A
SCHEMBL8087901 0.84 MEN1 (0.52) NCOR2POLBCYP1A2BCHEKMT2A
SCHEMBL8678894 0.83 MEN1 (0.35) GPR3HTR2AKMT2AMEN1
SCHEMBL30230992 0.81 GPR3 (0.46) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL708297 0.81 GPR3 (0.46) GPR3HTR2AHDAC3HDAC4HDAC7
Bromide SCHEMBL29090090 0.79 GPR3 (0.44) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL1008756 0.75 HTR2A (0.52) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL16892323 0.75 KMT2A (0.42) GPR3HTR2AKMT2AMEN1
SCHEMBL29950614 0.73 GPR3 (0.50) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL524603 0.73 GPR3 (0.50) GPR3HTR2AHDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130075714-A1 POLYMER, POLYMER COMPOSITION AND ORGANIC LIGHT-EMITTING DEVICE SUMTOMO CHEMICAL COMPANY LIMITED (JP) 2013-03-28 US disclosed
US-20130075714-A1 POLYMER, POLYMER COMPOSITION AND ORGANIC LIGHT-EMITTING DEVICE SUMTOMO CHEMICAL COMPANY LIMITED (JP) 2013-03-28 US disclosed
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 GPR3 1136/4885HTR2A 301/4885HDAC3 358/4885

“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.