SCHEMBL4409906

SCHEMBL4409906

OC1c2ccccc2C(O)c2cc(Br)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.44
CYP1A2 P05177 1/20 0.44
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
EDNRB P24530 1/20 0.40
EDNRA P25101 1/20 0.40
CYP2A6 P11509 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL20082694 0.81 CYP1A2 (0.53) MAPK1CYP1A2SLC6A2SLC6A4HTR2A
SCHEMBL30441120 0.81 HTR2B (0.47) MAPK1CYP1A2SLC6A2SLC6A4MAOA
SCHEMBL22336275 0.81 HTR2B (0.47) MAPK1CYP1A2SLC6A2SLC6A4MAOA
SCHEMBL14806632 0.78 CYP1A2 (0.46) MAPK1CYP1A2SLC6A2SLC6A4HTR2A
SCHEMBL10859714 0.78 HTR2A (0.37) MAPK1CYP1A2SLC6A2SLC6A4HTR2A
SCHEMBL10860639 0.78 TDP1 (0.46) CYP1A2SLC6A2SLC6A4HTR2AHTR2C
SCHEMBL3628239 0.77 MAOA (0.60) CYP1A2HTR2AMAOAMAOBALDH1A1
SCHEMBL29638852 0.77 MAOA (0.60) CYP1A2HTR2AMAOAMAOBALDH1A1
SCHEMBL29503343 0.77 MAOA (0.60) CYP1A2HTR2AMAOAMAOBALDH1A1
SCHEMBL11730476 0.77 MAOA (0.68) HTR2AHTR2CMAOAMAOBCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9257654-B2 Anthracene derivative, light-emitting element, light-emitting device, and electronic appliance SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-02-09 US disclosed
US-20140081031-A1 Anthracene Derivative, Light-Emitting Element, Light-Emitting Device, and Electronic Appliance SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-03-20 US disclosed
US-8592053-B2 Anthracene derivative, light-emitting element, light-emitting device, and electronic appliance SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-11-26 US disclosed
WO-2009131199-A1 ANTHRACENE DERIVATIVE, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, AND ELECTRONIC APPLIANCE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2009-10-29 WO disclosed
US-20090267498-A1 Anthracene Derivative, Light-Emitting Element, Light-Emitting Device, and Electronic Appliance SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-10-29 US 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-20090267498-A1 Anthracene Derivative, Light-Emitting Element, Light-Emitting Device, and Electronic Appliance AP2A1, ABCE1, SLC35E1 MAPK1 2504/4885CYP1A2 72/4885SLC6A2 1433/4885

“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.